General Information of the Compound
| Compound ID |
CP0440958
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| Compound Name |
(E)-3-[4-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-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 |
C30H23ClF3N3O2
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| Molecular Weight |
549.98
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc(cc1)-c1cn[nH]c1
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| InChI |
InChI=1S/C30H23ClF3N3O2/c31-25-14-24(30(32,33)34)17-35-29(25)28(20-2-1-3-20)27(21-7-4-18(5-8-21)6-13-26(38)39)22-11-9-19(10-12-22)23-15-36-37-16-23/h4-17,20H,1-3H2,(H,36,37)(H,38,39)/b13-6+,28-27+
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| InChIKey |
ZHWVYZBRVRMCNU-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