General Information of the Compound
| Compound ID |
CP0523218
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| Compound Name |
(1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((S)-1-(2-(1-methylcyclohexyl)allyloxy)propan-2-yl)-octahydroinden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C32H50O3
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| Molecular Weight |
482.749
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| Canonical SMILES |
C[C@H](COCC(=C)C1(C)CCCCC1)[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/C32H50O3/c1-22(20-35-21-23(2)31(4)15-7-6-8-16-31)28-13-14-29-25(10-9-17-32(28,29)5)11-12-26-18-27(33)19-30(34)24(26)3/h11-12,22,27-30,33-34H,2-3,6-10,13-21H2,1,4-5H3/b25-11+,26-12-/t22-,27-,28-,29+,30+,32-/m1/s1
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| InChIKey |
FPHQUCPOSFFTBY-JJWDWHEPSA-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