General Information of the Compound
Compound ID |
CP0563495
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Compound Name |
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
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Structure |
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Formula |
C31H55NO8
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Molecular Weight |
569.78
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Canonical SMILES |
CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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InChI |
InChI=1S/C31H55NO8/c1-17(5-8-26(37)32-15-23(35)28(38)29(39)24(36)16-33)20-6-7-21-27-22(10-12-31(20,21)3)30(2)11-9-19(34)13-18(30)14-25(27)40-4/h17-25,27-29,33-36,38-39H,5-16H2,1-4H3,(H,32,37)/t17-,18+,19-,20-,21+,22+,23+,24-,25-,27+,28-,29-,30+,31-/m1/s1
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InChIKey |
CTTUATCGJIGJJB-VRCWYQAQSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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