General Information of the Compound
| Compound ID |
CP0912171
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| Compound Name |
(2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-5-(2-(ethoxycarbonyl)phenylamino)-5-oxopentanoate
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| Structure |
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| Formula |
C38H56N2O8
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| Molecular Weight |
668.872
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| Canonical SMILES |
CCOC(=O)c1ccccc1NC(=O)CCC(NC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C)C(=O)O
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| InChI |
InChI=1S/C38H56N2O8/c1-5-48-36(47)25-8-6-7-9-29(25)39-33(44)15-13-30(35(45)46)40-32(43)14-10-22(2)26-11-12-27-34-28(17-19-38(26,27)4)37(3)18-16-24(41)20-23(37)21-31(34)42/h6-9,22-24,26-28,30-31,34,41-42H,5,10-21H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)
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| InChIKey |
BDMOWEOVVCSLOV-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