General Information of the Compound
| Compound ID |
CP0484722
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| Compound Name |
methyl 4-hydroxy-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzoate
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| Structure |
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| Formula |
C22H18N4O3
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| Molecular Weight |
386.411
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| Canonical SMILES |
COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1
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| InChI |
InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26)
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| InChIKey |
BCYOPZGXQUMCPD-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