General Information of the Compound
| Compound ID |
CP0384556
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| Compound Name |
(2E)-3-{3-chloro-4-[3-(3,3-dimethylbut-1-yn-1-yl)-4-hydroxyphenyl]phenyl}prop-2-enoic acid
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| Structure |
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| Formula |
C21H19ClO3
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| Molecular Weight |
354.833
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| Canonical SMILES |
CC(C)(C)C#Cc1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
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| InChI |
InChI=1S/C21H19ClO3/c1-21(2,3)11-10-16-13-15(6-8-19(16)23)17-7-4-14(12-18(17)22)5-9-20(24)25/h4-9,12-13,23H,1-3H3,(H,24,25)/b9-5+
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| InChIKey |
VWCJLBHQLMBOFA-WEVVVXLNSA-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