General Information of the Compound
| Compound ID |
CP0509340
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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-(4-(methoxycarbonyl)phenylamino)-5-oxopentanoate
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| Structure |
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| Formula |
C37H54N2O8
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| Molecular Weight |
654.845
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)cc1
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| InChI |
InChI=1S/C37H54N2O8/c1-21(5-13-32(43)39-29(34(44)45)12-14-31(42)38-24-8-6-22(7-9-24)35(46)47-4)26-10-11-27-33-28(16-18-37(26,27)3)36(2)17-15-25(40)19-23(36)20-30(33)41/h6-9,21,23,25-30,33,40-41H,5,10-20H2,1-4H3,(H,38,42)(H,39,43)(H,44,45)/t21-,23-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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| InChIKey |
MJISYJIYVLWHKW-PGMATYEBSA-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