General Information of the Compound
| Compound ID |
CP0477378
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| Compound Name |
(E)-3-[4-[(E)-2-(4-chloro-2-cyanophenyl)-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 |
C29H22ClN3O2
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| Molecular Weight |
479.967
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc2nccn2c1
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| InChI |
InChI=1S/C29H22ClN3O2/c30-24-10-11-25(23(16-24)17-31)29(20-2-1-3-20)28(22-9-12-26-32-14-15-33(26)18-22)21-7-4-19(5-8-21)6-13-27(34)35/h4-16,18,20H,1-3H2,(H,34,35)/b13-6+,29-28+
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| InChIKey |
DXRFGHOVDBANNX-APVGTODLSA-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