General Information of the Compound
| Compound ID |
CP0894702
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| Compound Name |
(7'S,13'S)-13'-benzyl-7'-isobutyl-6',7',12',13',15',16'-hexahydro-5'H-spiro[cyclopentane-1,10'-dibenzo[b,p][1,5,8,11,14]thiatetraazacycloheptadecine]-8',11',14'(9'H)-trione
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| Structure |
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| Formula |
C35H42N4O3S
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| Molecular Weight |
598.813
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| Canonical SMILES |
CC(C)C[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C35H42N4O3S/c1-24(2)20-28-33(41)39-35(18-10-11-19-35)34(42)38-29(21-25-12-4-3-5-13-25)32(40)37-23-27-15-7-9-17-31(27)43-30-16-8-6-14-26(30)22-36-28/h3-9,12-17,24,28-29,36H,10-11,18-23H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)/t28-,29-/m0/s1
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| InChIKey |
CVGIQLBCZMMDSH-VMPREFPWSA-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