General Information of the Compound
| Compound ID |
CP0444551
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| Compound Name |
4-methyl-3-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C21H18F3N3O
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| Molecular Weight |
385.389
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| Canonical SMILES |
Cc1ccc(cc1NCc1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H18F3N3O/c1-14-7-8-16(10-19(14)26-13-15-4-3-9-25-12-15)20(28)27-18-6-2-5-17(11-18)21(22,23)24/h2-12,26H,13H2,1H3,(H,27,28)
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| InChIKey |
WFLPERLYBCBHLO-UHFFFAOYSA-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
Protein ID: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT02113, Epithelial discoidin domain-containing receptor 1