General Information of the Compound
| Compound ID |
CP0436079
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| Compound Name |
(E)-3-[4-[(E)-2-(4-chloro-2-cyanophenyl)-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 |
C31H24ClN3O2
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| Molecular Weight |
506.005
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc(cc1)-c1cn[nH]c1
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| InChI |
InChI=1S/C31H24ClN3O2/c32-27-13-14-28(25(16-27)17-33)31(22-2-1-3-22)30(23-7-4-20(5-8-23)6-15-29(36)37)24-11-9-21(10-12-24)26-18-34-35-19-26/h4-16,18-19,22H,1-3H2,(H,34,35)(H,36,37)/b15-6+,31-30+
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| InChIKey |
UEAIFCIWPJJBOV-PEACJXIOSA-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