General Information of the Compound
| Compound ID |
CP0898933
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| Compound Name |
(E)-4-Chloro-N-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H14ClF3N4O
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| Molecular Weight |
442.828
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| Canonical SMILES |
O=C(Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)c1ccc(Cl)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C22H14ClF3N4O/c23-18-8-4-13(11-17(18)22(24,25)26)21(31)28-15-5-7-16-19(29-30-20(16)12-15)9-6-14-3-1-2-10-27-14/h1-12H,(H,28,31)(H,29,30)/b9-6+
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| InChIKey |
BGULSICDGYTWLK-RMKNXTFCSA-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