General Information of the Compound
| Compound ID |
CP0491800
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| Compound Name |
sodium;[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-5-oxo-5-pyrrolidin-1-ylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] sulfate
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| Structure |
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| Formula |
C29H48NNaO6S
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| Molecular Weight |
561.761
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| Canonical SMILES |
[Na+].CO[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OS([O-])(=O)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)N4CCCC4)[C@@]3(C)CC[C@H]21
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| InChI |
InChI=1S/C29H49NO6S.Na/c1-19(7-10-26(31)30-15-5-6-16-30)22-8-9-23-27-24(12-14-29(22,23)3)28(2)13-11-21(35-4)17-20(28)18-25(27)36-37(32,33)34;/h19-25,27H,5-18H2,1-4H3,(H,32,33,34);/q;+1/p-1/t19-,20+,21-,22-,23+,24+,25-,27+,28+,29-;/m1./s1
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| InChIKey |
UBORLHXTUNPGGO-RKDIHDQDSA-M
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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