-1-1-1-1CHEMBL1705808CHEMBL1705808CHEMBL1705808CHEMBL17058084.933C38H51N5O5657.866248657.86-0.431111.120.28N11CN(C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O RDKit 2D 48 54 0 0 1 0 0 0 0 0999 V2000 2.8754 1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -2.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -0.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 1.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 0.4491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 -0.9791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 -1.7615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 0.6130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 2.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 -0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 -0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -1.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4031 1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7611 -0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 -1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 -1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 -1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0147 0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 -0.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3718 -2.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -2.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 -1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 -2.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 -3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 -3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7265 -1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5363 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3541 1.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0320 1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 2 23 2 0 3 31 1 0 3 42 1 0 4 38 1 0 4 39 1 0 5 34 2 0 6 11 1 0 6 16 1 0 6 19 1 0 7 12 1 0 7 17 1 0 8 23 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 44 1 0 10 46 1 0 10 47 1 0 10 48 1 0 11 12 1 0 11 13 1 0 11 18 1 6 12 14 2 0 13 21 1 0 13 23 1 6 14 15 1 0 14 22 1 0 15 17 1 0 15 24 2 0 16 20 1 0 17 25 2 0 18 26 1 0 19 22 1 0 20 21 1 0 20 28 1 1 24 29 1 0 25 27 1 0 26 30 1 0 27 29 2 0 27 31 1 0 28 34 1 0 30 35 1 0 30 36 1 0 31 37 2 0 32 38 1 0 33 39 1 0 35 40 1 0 36 41 1 0 37 43 1 0 40 41 1 0 42 43 2 0 44 45 1 0 45 46 1 0 M END > <chembl_id> CHEMBL1705808 > <chembl_pref_name> NoneInChI=1S/C38H51N5O5/c1-41(2)16-6-15-39-34(44)25-28-23-31(37(46)42-18-21-47-22-19-42)38(14-12-26-7-3-4-8-26)35-30(13-17-43(38)36(28)45)29-11-10-27(24-32(29)40-35)33-9-5-20-48-33/h5,9-11,20,24,26,28,31,40H,3-4,6-8,12-19,21-23,25H2,1-2H3,(H,39,44)/t28-,31-,38+/m1/s1ONCPXAIQMRPHQX-MPCXXSGUSA-NSmall molecule-1-1MOL-1