General Information of the Compound
| Compound ID |
CP0533973
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| Compound Name |
(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-4-(benzenesulfonyl)butan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C29H40O4S
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| Molecular Weight |
484.702
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| Canonical SMILES |
C[C@H](CCS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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| InChI |
InChI=1S/C29H40O4S/c1-20(15-17-34(32,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(30)19-28(31)21(23)2/h4-6,9-12,20,24,26-28,30-31H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-/m1/s1
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| InChIKey |
FWJLSQNOVVHPLP-BWCFFMPASA-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