General Information of the Compound
| Compound ID |
CP0075729
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| Compound Name |
3-(2-(2-Aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C26H24F3N5O
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| Molecular Weight |
479.506
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| Canonical SMILES |
Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F3N5O/c1-17-5-7-20(13-19(17)8-6-18-15-31-25(30)32-16-18)24(35)33-22-14-21(26(27,28)29)9-10-23(22)34-11-3-2-4-12-34/h5,7,9-10,13-16H,2-4,11-12H2,1H3,(H,33,35)(H2,30,31,32)
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| InChIKey |
KERAXCVZALMMNG-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