General Information of the Compound
| Compound ID |
CP0571120
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| Compound Name |
3-amino-6-[4-(piperazin-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 |
C20H25F3N6O2
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| Molecular Weight |
438.454
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| Canonical SMILES |
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCNCC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H25F3N6O2/c1-19(31,20(21,22)23)12-27-18(30)16-17(24)26-10-15(28-16)14-4-2-13(3-5-14)11-29-8-6-25-7-9-29/h2-5,10,25,31H,6-9,11-12H2,1H3,(H2,24,26)(H,27,30)/t19-/m1/s1
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| InChIKey |
MNVVQKUMHODWHU-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