General Information of the Compound
| Compound ID |
CP0047966
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| Compound Name |
(S)-5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-2-fluoro-N-(2-(3-(methylamino)piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C26H24F4N6O
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| Molecular Weight |
512.511
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| Canonical SMILES |
CN[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F4N6O/c1-32-19-3-2-10-36(15-19)23-9-7-18(26(28,29)30)12-22(23)35-24(37)20-11-16(6-8-21(20)27)4-5-17-13-33-25(31)34-14-17/h6-9,11-14,19,32H,2-3,10,15H2,1H3,(H,35,37)(H2,31,33,34)/t19-/m0/s1
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| InChIKey |
YNUAYENQUDYECY-IBGZPJMESA-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