General Information of the Compound
| Compound ID |
CP0913146
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| Compound Name |
3-((S)-5-(benzylperoxy)-4-((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-oxopentanamido)benzoic acid
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| Structure |
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| Formula |
C43H58N2O9
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| Molecular Weight |
746.942
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| Canonical SMILES |
CC(CCC(=O)NC(CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
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| InChI |
InChI=1S/C43H58N2O9/c1-26(32-13-14-33-39-34(19-21-43(32,33)3)42(2)20-18-31(46)23-29(42)24-36(39)47)12-16-38(49)45-35(41(52)54-53-25-27-8-5-4-6-9-27)15-17-37(48)44-30-11-7-10-28(22-30)40(50)51/h4-11,22,26,29,31-36,39,46-47H,12-21,23-25H2,1-3H3,(H,44,48)(H,45,49)(H,50,51)
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| InChIKey |
UVECCUOFVSIRQV-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