General Information of the Compound
| Compound ID |
CP0921204
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| Compound Name |
16-Epi-avicholic Acid sodium salt
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| Structure |
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| Formula |
C24H39NaO5
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| Molecular Weight |
430.561
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| Canonical SMILES |
C[C@H](CCC(=O)[O-])[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.[Na+]
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| InChI |
InChI=1S/C24H40O5.Na/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26;/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16+,17+,18-,19+,21-,22+,23+,24+;/m1./s1
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| InChIKey |
PTTYZBLREJLCIM-PANRSKQGSA-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