General Information of the Compound
| Compound ID |
CP0519762
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| Compound Name |
2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)pyridin-2-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C22H20N6O2
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| Molecular Weight |
400.442
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| Canonical SMILES |
COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(Cc2cccnc2)n1
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| InChI |
InChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28)
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| InChIKey |
PRBWHEZLZLJYIT-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