General Information of the Compound
| Compound ID |
CP0551134
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| Compound Name |
1-(3-chloro-4-methoxyphenyl)-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C24H22ClN5O3
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| Molecular Weight |
463.925
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(ccc34)N(C)C)cc2)cc1Cl
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| InChI |
InChI=1S/C24H22ClN5O3/c1-30(2)17-7-10-19-21(13-17)26-14-27-23(19)33-18-8-4-15(5-9-18)28-24(31)29-16-6-11-22(32-3)20(25)12-16/h4-14H,1-3H3,(H2,28,29,31)
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| InChIKey |
PYEYQQPNCFWLBM-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