General Information of the Compound
| Compound ID |
CP0744827
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| Compound Name |
6alpha-ethyl-16-epi-Avicholic Acid sodium salt
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| Structure |
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| Formula |
C26H43NaO5
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| Molecular Weight |
458.615
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| Canonical SMILES |
CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)[O-])[C@@H](O)C[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12.[Na+]
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| InChI |
InChI=1S/C26H44O5.Na/c1-5-16-18-12-15(27)8-10-25(18,3)17-9-11-26(4)19(22(17)24(16)31)13-20(28)23(26)14(2)6-7-21(29)30;/h14-20,22-24,27-28,31H,5-13H2,1-4H3,(H,29,30);/q;+1/p-1/t14-,15-,16-,17+,18+,19+,20+,22-,23+,24-,25-,26+;/m1./s1
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| InChIKey |
FJWJKQXCFIAJTO-DNTMIVBCSA-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