General Information of the Compound
| Compound ID |
CP0903600
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| Compound Name |
(2S)-5-(4-(tert-butoxycarbonylamino)phenylamino)-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-oxopentanoate
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| Structure |
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| Formula |
C40H61N3O8
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| Molecular Weight |
711.941
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| Canonical SMILES |
CC(CCC(=O)NC(CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
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| InChI |
InChI=1S/C40H61N3O8/c1-23(28-12-13-29-35-30(18-20-40(28,29)6)39(5)19-17-27(44)21-24(39)22-32(35)45)7-15-34(47)43-31(36(48)49)14-16-33(46)41-25-8-10-26(11-9-25)42-37(50)51-38(2,3)4/h8-11,23-24,27-32,35,44-45H,7,12-22H2,1-6H3,(H,41,46)(H,42,50)(H,43,47)(H,48,49)
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| InChIKey |
ZUGUPKBOHCFYIT-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