General Information of the Compound
| Compound ID |
CP0532453
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| Compound Name |
(E)-3-[4-[(E)-1-(1,3-benzothiazol-5-yl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-cyclobutylethenyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H20ClF3N2O2S
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| Molecular Weight |
540.994
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc2scnc2c1
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| InChI |
InChI=1S/C28H20ClF3N2O2S/c29-21-13-20(28(30,31)32)14-33-27(21)26(17-2-1-3-17)25(19-9-10-23-22(12-19)34-15-37-23)18-7-4-16(5-8-18)6-11-24(35)36/h4-15,17H,1-3H2,(H,35,36)/b11-6+,26-25+
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| InChIKey |
LOZGMPWMAPPACF-QUMIQINZSA-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