General Information of the Compound
| Compound ID |
CP0566880
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| Compound Name |
2-amino-8-fluoro-N-[[6-(hydroxymethyl)pyridin-2-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C16H14FN5O2
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| Molecular Weight |
327.319
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| Canonical SMILES |
Nc1nc(C(=O)NCc2cccc(CO)n2)c2cccc(F)c2n1
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| InChI |
InChI=1S/C16H14FN5O2/c17-12-6-2-5-11-13(12)21-16(18)22-14(11)15(24)19-7-9-3-1-4-10(8-23)20-9/h1-6,23H,7-8H2,(H,19,24)(H2,18,21,22)
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| InChIKey |
PPOKTFIYGXDKBM-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