General Information of the Compound
| Compound ID |
CP0534522
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| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-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 |
C30H24ClFN2O2
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| Molecular Weight |
498.985
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc(cc1)-c1cn[nH]c1
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| InChI |
InChI=1S/C30H24ClFN2O2/c31-27-16-25(32)13-14-26(27)30(21-2-1-3-21)29(22-7-4-19(5-8-22)6-15-28(35)36)23-11-9-20(10-12-23)24-17-33-34-18-24/h4-18,21H,1-3H2,(H,33,34)(H,35,36)/b15-6+,30-29+
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| InChIKey |
PQRCUHXMZAWKSG-RYSIYLRZSA-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