General Information of the Compound
| Compound ID |
CP0047965
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| Compound Name |
3-(2-(2-Aminopyrimidin-5-yl)ethynyl)-N-(2-(piperidin-1-yl)-5-(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 |
Nc1ncc(cn1)C#Cc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N5O/c26-25(27,28)20-9-10-22(33-11-2-1-3-12-33)21(14-20)32-23(34)19-6-4-5-17(13-19)7-8-18-15-30-24(29)31-16-18/h4-6,9-10,13-16H,1-3,11-12H2,(H,32,34)(H2,29,30,31)
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| InChIKey |
RZYAXQPODGDVBT-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