General Information of the Compound
| Compound ID |
CP0528403
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| Compound Name |
(1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((S)-1-(2-(6,6-dimethylcyclohex-1-enyl)allyloxy)propan-2-yl)-7a-methyl-octahydroinden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C33H50O3
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| Molecular Weight |
494.76
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| Canonical SMILES |
C[C@H](COCC(=C)C1=CCCCC1(C)C)[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/C33H50O3/c1-22(28-11-7-8-16-32(28,4)5)20-36-21-23(2)29-14-15-30-25(10-9-17-33(29,30)6)12-13-26-18-27(34)19-31(35)24(26)3/h11-13,23,27,29-31,34-35H,1,3,7-10,14-21H2,2,4-6H3/b25-12+,26-13-/t23-,27-,29-,30+,31+,33-/m1/s1
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| InChIKey |
AWLCVAKXEJNBLJ-XDLQSKPCSA-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