General Information of the Compound
| Compound ID |
CP0537181
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| Compound Name |
4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-[[5-(1H-pyrrol-2-yl)pyridin-3-yl]methylamino]benzamide
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| Structure |
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| Formula |
C26H23F3N4O
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| Molecular Weight |
464.491
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| Canonical SMILES |
Cc1ccc(cc1NCc1cncc(c1)-c1ccc[nH]1)C(=O)Nc1ccc(C)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N4O/c1-16-6-8-21(12-22(16)26(27,28)29)33-25(34)19-7-5-17(2)24(11-19)32-14-18-10-20(15-30-13-18)23-4-3-9-31-23/h3-13,15,31-32H,14H2,1-2H3,(H,33,34)
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| InChIKey |
DTAKXSCGKBXZTR-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