General Information of the Compound
| Compound ID |
CP0916435
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| Compound Name |
Sodium salt 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-butyryloxy)-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-heptanoate
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| Structure |
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| Formula |
C23H37NaO7
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| Molecular Weight |
448.532
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| Canonical SMILES |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C[C@@H]2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)[O-])[C@@H]12.[Na+]
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| InChI |
InChI=1S/C23H38O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,13-20,22,24-26H,4,7-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,15-,16-,17+,18-,19-,20-,22-;/m0./s1
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| InChIKey |
NCQOQKCVFAOKKI-PPEUQOGJSA-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