General Information of the Compound
| Compound ID |
CP0577904
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| Compound Name |
3-amino-6-[4-[(dimethylamino)methyl]phenyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C17H20F3N5O2
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| Molecular Weight |
383.374
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NCC(O)C(F)(F)F
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| InChI |
InChI=1S/C17H20F3N5O2/c1-25(2)9-10-3-5-11(6-4-10)12-7-22-15(21)14(24-12)16(27)23-8-13(26)17(18,19)20/h3-7,13,26H,8-9H2,1-2H3,(H2,21,22)(H,23,27)
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| InChIKey |
QBUXGMUZVQIJON-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