General Information of the Compound
| Compound ID |
CP0548456
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| Compound Name |
1-[4-[[(7-ethoxy-6-fluoroquinazolin-4-yl)amino]methyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C24H22FN5O2
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| Molecular Weight |
431.471
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| Canonical SMILES |
CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
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| InChI |
InChI=1S/C24H22FN5O2/c1-2-32-22-13-21-19(12-20(22)25)23(28-15-27-21)26-14-16-8-10-18(11-9-16)30-24(31)29-17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,26,27,28)(H2,29,30,31)
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| InChIKey |
BDVRFFAXYBXOLT-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