General Information of the Compound
| Compound ID |
CP0883415
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| Compound Name |
(5S,11S)-11-benzyl-5-isobutyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C32H42N4O4
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| Molecular Weight |
546.712
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C32H42N4O4/c1-23(2)21-26-30(38)36-32(16-8-9-17-32)31(39)35-27(22-24-11-4-3-5-12-24)29(37)34-18-10-14-25-13-6-7-15-28(25)40-20-19-33-26/h3-7,10-15,23,26-27,33H,8-9,16-22H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)/b14-10-/t26-,27-/m0/s1
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| InChIKey |
IZADBTJTXUVPGM-CAQVEUOASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound