General Information of the Compound
| Compound ID |
CP0494136
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxypyridin-3-yl)methyl]urea
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| Structure |
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| Formula |
C24H24N6O3
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| Molecular Weight |
444.495
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| Canonical SMILES |
COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(ccc34)N(C)C)cc2)cn1
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| InChI |
InChI=1S/C24H24N6O3/c1-30(2)18-7-10-20-21(12-18)27-15-28-23(20)33-19-8-5-17(6-9-19)29-24(31)26-14-16-4-11-22(32-3)25-13-16/h4-13,15H,14H2,1-3H3,(H2,26,29,31)
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| InChIKey |
BQRHGQMIXCBRQP-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