General Information of the Compound
| Compound ID |
CP0564732
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| Compound Name |
(R)-6-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-5-(isopropylamino)-N-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C21H26F3N5O
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| Molecular Weight |
421.467
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| Canonical SMILES |
CNC(=O)c1cnc(NC(C)C)c(n1)N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F
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| InChI |
InChI=1S/C21H26F3N5O/c1-12(2)27-19-20(28-17(11-26-19)21(30)25-3)29-8-6-13(7-9-29)18(24)15-5-4-14(22)10-16(15)23/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,30)(H,26,27)/t18-/m1/s1
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| InChIKey |
DJYGHIQUHQRKOQ-GOSISDBHSA-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