General Information of the Compound
| Compound ID |
CP0444552
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| Compound Name |
3-[(5-methoxypyridin-3-yl)methylamino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C22H20F3N3O2
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| Molecular Weight |
415.415
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| Canonical SMILES |
COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H20F3N3O2/c1-14-6-7-16(9-20(14)27-12-15-8-19(30-2)13-26-11-15)21(29)28-18-5-3-4-17(10-18)22(23,24)25/h3-11,13,27H,12H2,1-2H3,(H,28,29)
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| InChIKey |
ITMMHAMHNWGMLK-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