General Information of the Compound
| Compound ID |
CP0400913
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| Compound Name |
2-amino-8-methoxy-N-[[6-(trifluoromethyl)pyridin-2-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C17H14F3N5O2
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| Molecular Weight |
377.326
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| Canonical SMILES |
COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N5O2/c1-27-11-6-3-5-10-13(11)24-16(21)25-14(10)15(26)22-8-9-4-2-7-12(23-9)17(18,19)20/h2-7H,8H2,1H3,(H,22,26)(H2,21,24,25)
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| InChIKey |
STWRXRRGWBYXJK-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