General Information of the Compound
| Compound ID |
CP0485122
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methylpyridin-3-yl)methyl]urea
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| Structure |
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C)nc4)cc3)ncnc2c1
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| InChI |
InChI=1S/C24H24N6O2/c1-16-4-5-17(13-25-16)14-26-24(31)29-18-6-9-20(10-7-18)32-23-21-11-8-19(30(2)3)12-22(21)27-15-28-23/h4-13,15H,14H2,1-3H3,(H2,26,29,31)
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| InChIKey |
CVAQBRNPLXZEND-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