General Information of the Compound
| Compound ID |
CP0209157
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| Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
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| Structure |
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| Formula |
C26H21F3N6O2
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| Molecular Weight |
506.488
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C26H21F3N6O2/c1-15-8-9-20(33-23(36)16-4-2-5-17(10-16)26(27,28)29)12-22(15)24(37)34-21-13-31-25(32-14-21)35-19-7-3-6-18(30)11-19/h2-14H,30H2,1H3,(H,33,36)(H,34,37)(H,31,32,35)
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| InChIKey |
FCXFBAVJAPHCTG-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: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT01308, Tyrosine-protein kinase BTK