General Information of the Compound
| Compound ID |
CP0932354
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| Compound Name |
(S)-2-((R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-5-oxo-5-(phenylamino)pentanoate
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| Structure |
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| Formula |
C35H52N2O6
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| Molecular Weight |
596.809
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| Canonical SMILES |
CC(CCC(=O)NC(CCC(=O)Nc1ccccc1)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
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| InChI |
InChI=1S/C35H52N2O6/c1-21(9-13-31(41)37-28(33(42)43)12-14-30(40)36-23-7-5-4-6-8-23)25-10-11-26-32-27(16-18-35(25,26)3)34(2)17-15-24(38)19-22(34)20-29(32)39/h4-8,21-22,24-29,32,38-39H,9-20H2,1-3H3,(H,36,40)(H,37,41)(H,42,43)
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| InChIKey |
YVZZWDGPBJHUST-UHFFFAOYSA-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