General Information of the Compound
| Compound ID |
CP0532451
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| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-cyanophenyl)-2-cyclobutyl-1-[4-(1,3-thiazol-5-yl)phenyl]ethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C31H23ClN2O2S
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| Molecular Weight |
523.057
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc(cc1)-c1cncs1
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| InChI |
InChI=1S/C31H23ClN2O2S/c32-27-16-21(17-33)6-14-26(27)31(23-2-1-3-23)30(24-8-4-20(5-9-24)7-15-29(35)36)25-12-10-22(11-13-25)28-18-34-19-37-28/h4-16,18-19,23H,1-3H2,(H,35,36)/b15-7+,31-30+
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| InChIKey |
DBOJCOXTJDHZOA-WJJQQQQUSA-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