General Information of the Compound
| Compound ID |
CP0537452
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| Compound Name |
4-methyl-3-[[5-(1-methylpyrazol-3-yl)pyridin-3-yl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C25H22F3N5O
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| Molecular Weight |
465.479
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| Canonical SMILES |
Cc1ccc(cc1NCc1cncc(c1)-c1ccn(C)n1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N5O/c1-16-6-7-18(24(34)31-21-5-3-4-20(12-21)25(26,27)28)11-23(16)30-14-17-10-19(15-29-13-17)22-8-9-33(2)32-22/h3-13,15,30H,14H2,1-2H3,(H,31,34)
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| InChIKey |
ISFMOWLMGGXLTK-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