General Information of the Compound
| Compound ID |
CP0558010
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| Compound Name |
(E)-3-[4-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]-2-cyclobutyl-1-imidazo[1,2-a]pyridin-6-ylethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C29H22ClF3N2O2
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| Molecular Weight |
522.954
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C(F)(F)F)\c1ccc2nccn2c1
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| InChI |
InChI=1S/C29H22ClF3N2O2/c30-24-16-22(29(31,32)33)10-11-23(24)28(19-2-1-3-19)27(21-9-12-25-34-14-15-35(25)17-21)20-7-4-18(5-8-20)6-13-26(36)37/h4-17,19H,1-3H2,(H,36,37)/b13-6+,28-27+
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| InChIKey |
OXHNKYLIDCPENS-GWYNGDBJSA-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