General Information of the Compound
| Compound ID |
CP0064470
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| Compound Name |
(2E)-3-{3-chloro-4-[3-(3-ethylpentan-3-yl)-4-hydroxyphenyl]phenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C22H25ClO3
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| Molecular Weight |
372.892
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| Canonical SMILES |
CCC(CC)(CC)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C22H25ClO3/c1-4-22(5-2,6-3)18-14-16(9-11-20(18)24)17-10-7-15(13-19(17)23)8-12-21(25)26/h7-14,24H,4-6H2,1-3H3,(H,25,26)/b12-8+
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| InChIKey |
APBISRKAAZZLPB-XYOKQWHBSA-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