General Information of the Compound
| Compound ID |
CP0428891
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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-methoxyphenylamino)-5-oxopentanoate
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| Structure |
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| Formula |
C36H54N2O7
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| Molecular Weight |
626.835
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| Canonical SMILES |
COc1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
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| InChI |
InChI=1S/C36H54N2O7/c1-21(9-13-31(41)38-28(34(43)44)12-14-32(42)37-27-7-5-6-8-30(27)45-4)24-10-11-25-33-26(16-18-36(24,25)3)35(2)17-15-23(39)19-22(35)20-29(33)40/h5-8,21-26,28-29,33,39-40H,9-20H2,1-4H3,(H,37,42)(H,38,41)(H,43,44)/t21-,22-,23-,24-,25+,26+,28+,29-,33+,35+,36-/m1/s1
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| InChIKey |
DSMKGEZAFOCZND-AMWNAABRSA-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