General Information of the Compound
| Compound ID |
CP0523217
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| Compound Name |
(1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((S)-1-(benzyloxy)propan-2-yl)-7a-methyl-octahydroinden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C29H40O3
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| Molecular Weight |
436.636
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| Canonical SMILES |
C[C@H](COCc1ccccc1)[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/C29H40O3/c1-20(18-32-19-22-8-5-4-6-9-22)26-13-14-27-23(10-7-15-29(26,27)3)11-12-24-16-25(30)17-28(31)21(24)2/h4-6,8-9,11-12,20,25-28,30-31H,2,7,10,13-19H2,1,3H3/b23-11+,24-12-/t20-,25-,26-,27+,28+,29-/m1/s1
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| InChIKey |
NQQDMBLLKMSZNB-OUTQBGCQSA-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