General Information of the Compound
| Compound ID |
CP0542806
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| Compound Name |
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea
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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 |
COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
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| InChI |
InChI=1S/C25H25N5O3/c1-32-22-14-20-21(15-23(22)33-2)27-16-28-24(20)26-13-12-17-8-10-19(11-9-17)30-25(31)29-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,26,27,28)(H2,29,30,31)
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| InChIKey |
AJMTUUMTBJOKEW-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