General Information of the Compound
| Compound ID |
CP0509342
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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-(3,5-dimethoxyphenylamino)-5-oxopentanoate
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| Structure |
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| Formula |
C37H56N2O8
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| Molecular Weight |
656.861
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| Canonical SMILES |
COc1cc(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)cc(OC)c1
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| InChI |
InChI=1S/C37H56N2O8/c1-21(6-10-33(43)39-30(35(44)45)9-11-32(42)38-23-18-25(46-4)20-26(19-23)47-5)27-7-8-28-34-29(13-15-37(27,28)3)36(2)14-12-24(40)16-22(36)17-31(34)41/h18-22,24,27-31,34,40-41H,6-17H2,1-5H3,(H,38,42)(H,39,43)(H,44,45)/t21-,22-,24-,27-,28+,29+,30+,31-,34+,36+,37-/m1/s1
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| InChIKey |
ZZRFGBXJIKSHOY-XOVFCEDVSA-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