General Information of the Compound
| Compound ID |
CP0548388
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| Compound Name |
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(4-methoxyphenyl)methyl]urea
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
COc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(ccc34)N(C)C)cc2)cc1
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| InChI |
InChI=1S/C25H25N5O3/c1-30(2)19-8-13-22-23(14-19)27-16-28-24(22)33-21-11-6-18(7-12-21)29-25(31)26-15-17-4-9-20(32-3)10-5-17/h4-14,16H,15H2,1-3H3,(H2,26,29,31)
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| InChIKey |
ASMLTJAJYAJQHR-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