General Information of the Compound
| Compound ID |
CP0373216
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| Compound Name |
(2E)-3-{3-chloro-4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]phenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C22H23ClO3
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| Molecular Weight |
370.876
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| Canonical SMILES |
CC1(CCCCC1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C22H23ClO3/c1-22(11-3-2-4-12-22)18-14-16(7-9-20(18)24)17-8-5-15(13-19(17)23)6-10-21(25)26/h5-10,13-14,24H,2-4,11-12H2,1H3,(H,25,26)/b10-6+
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| InChIKey |
SPCYQAVBCOCHLI-UXBLZVDNSA-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