{"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": "CHEMBL4281641", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4281641", "molecule_chembl_id": "CHEMBL4281641", "parent_chembl_id": "CHEMBL4281641"}, "molecule_properties": {"alogp": "3.67", "aromatic_rings": 2, "full_molformula": "C19H25N5O", "full_mwt": "339.44", "hba": 6, "hbd": 3, "heavy_atoms": 25, "mw_freebase": "339.44", "np_likeness_score": "-0.38", "num_ro5_violations": 0, "psa": "82.96", "qed_weighted": "0.71", "ro3_pass": "N", "rtb": 7}, "molecule_structures": {"canonical_smiles": "C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(O)c2)n1)C1CC1", "molfile": "\n     RDKit          2D\n\n 25 28  0  0  0  0  0  0  0  0999 V2000\n    3.9561  -17.1410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9549  -17.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6708  -18.3799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3882  -17.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3853  -17.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6690  -16.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6636  -15.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3796  -15.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3775  -14.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6602  -14.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9437  -14.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9492  -15.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1044  -18.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8191  -17.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2392  -18.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5239  -17.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5247  -17.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8123  -18.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5311  -18.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8179  -17.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9908  -18.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4009  -19.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9486  -19.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3582  -18.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0919  -14.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  4  2  0\n  4  5  1  0\n  5  6  2  0\n  6  1  1  0\n  7  8  2  0\n  8  9  1  0\n  9 10  2  0\n 10 11  1  0\n 11 12  2  0\n 12  7  1  0\n  6  7  1  0\n  4 13  1  0\n 14 13  1  6\n  2 15  1  0\n 16 15  1  1\n 16 17  1  0\n 16 18  1  0\n 14 19  1  0\n 14 20  1  0\n 21 18  1  0\n 22 21  1  0\n 18 22  1  0\n 23 19  1  0\n 24 23  1  0\n 19 24  1  0\n  9 25  1  0\nM  END\n> <chembl_id>\nCHEMBL4281641\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H25N5O/c1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14/h3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24)/t11-,12-/m1/s1", "standard_inchi_key": "JCZPGZCYKZMOEK-VXGBXAGGSA-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}