General Information of the Compound
| Compound ID |
CP0577743
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| Compound Name |
3-amino-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H24F3N5O2
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| Molecular Weight |
423.439
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| Canonical SMILES |
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCCC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H24F3N5O2/c1-19(30,20(21,22)23)12-26-18(29)16-17(24)25-10-15(27-16)14-6-4-13(5-7-14)11-28-8-2-3-9-28/h4-7,10,30H,2-3,8-9,11-12H2,1H3,(H2,24,25)(H,26,29)/t19-/m1/s1
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| InChIKey |
GRYHGVBMTMXDQH-LJQANCHMSA-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