General Information of the Compound
| Compound ID |
CP0275047
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| Compound Name |
(4R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-methyl-3-methylideneoxolan-2-one
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| Structure |
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| Formula |
C31H46O6
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| Molecular Weight |
514.703
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| Canonical SMILES |
C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C
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| InChI |
InChI=1S/C31H46O6/c1-18(16-27-19(2)20(3)30(35)37-27)24-11-12-25-22(8-6-13-31(24,25)5)9-10-23-17-26(33)29(28(34)21(23)4)36-15-7-14-32/h9-10,18-19,24-29,32-34H,3-4,6-8,11-17H2,1-2,5H3/b22-9+,23-10-/t18-,19-,24-,25+,26-,27+,28-,29+,31-/m1/s1
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| InChIKey |
PIVOGTGNMOQWGA-KEMZAILVSA-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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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