General Information of the Compound
| Compound ID |
CP0477176
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| Compound Name |
5-[[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H19F3N4O2
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| Molecular Weight |
428.414
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| Canonical SMILES |
Cc1ccc(cc1NCc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N4O2/c1-13-5-6-15(21(31)29-18-4-2-3-17(9-18)22(23,24)25)8-19(13)28-11-14-7-16(20(26)30)12-27-10-14/h2-10,12,28H,11H2,1H3,(H2,26,30)(H,29,31)
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| InChIKey |
IPXKPFIHNPASKD-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