General Information of the Compound
| Compound ID |
CP0444164
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| Compound Name |
2-amino-N-[[6-(hydroxymethyl)pyridin-2-yl]methyl]-8-methoxyquinazoline-4-carboxamide
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| Structure |
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| Formula |
C17H17N5O3
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| Molecular Weight |
339.355
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| Canonical SMILES |
COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1
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| InChI |
InChI=1S/C17H17N5O3/c1-25-13-7-3-6-12-14(13)21-17(18)22-15(12)16(24)19-8-10-4-2-5-11(9-23)20-10/h2-7,23H,8-9H2,1H3,(H,19,24)(H2,18,21,22)
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| InChIKey |
KRGXVVXVTOBVEQ-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