General Information of the Compound
| Compound ID |
CP0534713
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| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-(1H-pyrazol-4-yl)phenyl]ethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C31H27ClN2O3
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| Molecular Weight |
511.021
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| Canonical SMILES |
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2)-c2cn[nH]c2)c(Cl)c1
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| InChI |
InChI=1S/C31H27ClN2O3/c1-37-26-14-15-27(28(32)17-26)31(22-3-2-4-22)30(23-8-5-20(6-9-23)7-16-29(35)36)24-12-10-21(11-13-24)25-18-33-34-19-25/h5-19,22H,2-4H2,1H3,(H,33,34)(H,35,36)/b16-7+,31-30+
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| InChIKey |
ALLCTBXXOBGYPB-SUHJSEOXSA-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