{"atc_classifications": [], "availability_type": -1, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": null, "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL3402053", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3402053", "molecule_chembl_id": "CHEMBL3402053", "parent_chembl_id": "CHEMBL3402053"}, "molecule_properties": {"alogp": null, "aromatic_rings": null, "full_molformula": "C63H108N22O19", "full_mwt": "1477.69", "hba": null, "hbd": null, "heavy_atoms": null, "mw_freebase": "1477.69", "np_likeness_score": null, "num_ro5_violations": null, "psa": null, "qed_weighted": null, "ro3_pass": null, "rtb": null}, "molecule_structures": {"canonical_smiles": 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0 0 0 0 0\n 11.0370 17.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3830 25.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9098 27.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2023 26.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5431 26.6411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6817 11.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3492 22.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.3171 22.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0999 9.4908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2858 42.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9736 37.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0018 26.5675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2677 40.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9595 39.9850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9806 33.2763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6151 36.2481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0471 4.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3632 19.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6543 31.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6966 17.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3280 28.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0440 13.1499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3734 7.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3311 20.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1059 9.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1179 10.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6332 37.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6755 24.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.2889 34.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4081 8.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3588 17.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7744 11.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8815 13.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0581 11.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4253 11.6766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1833 25.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3165 31.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8254 11.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3318 42.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6024 26.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2899 13.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -10.6193 11.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9837 25.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4402 9.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.3743 11.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0048 18.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6997 9.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.2537 42.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -9.5740 11.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5624 32.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8373 13.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0818 10.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -9.5620 13.0063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0158 24.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0260 11.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.2815 11.0434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7519 4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3703 15.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4161 19.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0756 24.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4722 6.6664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7832 25.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.3100 27.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1380 24.5568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6254 33.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7624 12.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2326 11.8967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7177 10.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1953 26.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6447 13.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.2445 13.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0652 6.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5782 33.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4042 18.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3069 35.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.9414 38.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6574 22.8305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6363 29.5393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5097 27.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3382 15.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2959 29.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2748 36.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4820 10.9656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9741 11.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4758 24.3831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4262 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 35 3 1 0\n 44 16 1 0\n 68 49 1 0\n 87 4 1 0\n 55 18 1 0\n102 73 1 0\n 33 6 1 0\n 63 7 1 0\n 94 30 1 0\n 91 47 1 1\n 16 77 1 0\n 36 63 1 0\n 85 64 1 0\n 48 83 2 0\n 36 91 1 0\n 12 13 1 0\n 37 99 2 0\n 88 84 1 0\n 54 68 1 0\n 44 95 1 1\n 69 25 1 1\n 73 66 1 0\n 5 31 1 0\n 40 34 1 6\n 57 17 1 0\n 17 19 1 0\n 1 38 1 6\n 85 51 1 6\n 40 22 1 0\n 37 96 1 0\n 63 15 2 0\n 18 24 2 0\n 75 98 2 0\n 22 23 2 0\n 26 65 1 0\n 8 92 2 0\n 45 93 1 0\n 79103 1 0\n 12 74 1 0\n 45 90 1 0\n 80 37 1 0\n 21102 1 0\n 72 38 1 0\n 80 28 1 6\n 32 43 1 0\n 92 13 1 0\n 90 67 1 6\n 72 50 2 0\n 11 39 1 0\n 75 14 1 0\n 44 60 1 0\n 97 20 1 0\n 88 58 2 0\n 42 41 2 0\n 77 79 1 0\n 93 32 1 0\n 91 76 1 0\n 80 57 1 0\n 24 8 1 0\n 78104 1 0\n 7 40 1 0\n104 9 1 1\n 93100 2 0\n 30 29 1 0\n104 46 1 0\n 54 42 1 0\n 52 86 1 0\n 13 55 2 0\n 68 2 1 1\n 6 12 1 0\n 90 82 1 0\n 60 28 1 0\n 35 5 1 0\n 36 14 1 1\n 64 11 1 0\n 39 89 1 0\n 42 51 1 0\n 35 96 1 1\n 5 10 2 0\n 43 94 1 0\n 1 75 1 0\n 94 27 2 0\n 26 56 2 0\n 89 33 1 0\n 22 95 1 0\n 85 72 1 0\n 1 87 1 0\n 4 88 1 0\n 19 97 1 0\n 29 26 1 0\n 69 62 1 0\n 3 53 1 0\n 48101 1 0\n 46 25 1 0\n 66 70 1 0\n 52 81 2 0\n 54101 1 1\n 62 21 1 0\n 66 59 2 0\n 69 48 1 0\n 45 31 1 6\n 60 71 2 0\n 74 6 1 0\n 46 61 2 0\n103 52 1 0\nM END\n> \nCHEMBL3402053\n\n> \nNone", "standard_inchi": "InChI=1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1", "standard_inchi_key": "NMSAXYZDTJCYSZ-ZRDIPKLOSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 0, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "structure_type": "MOL", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}