General Information of the Compound
| Compound ID |
CP0573216
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| Compound Name |
1-(3-chlorophenyl)-3-[4-[2-[(6,7-difluoroquinazolin-4-yl)amino]ethyl]phenyl]urea
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| Structure |
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| Formula |
C23H18ClF2N5O
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| Molecular Weight |
453.88
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| Canonical SMILES |
Fc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
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| InChI |
InChI=1S/C23H18ClF2N5O/c24-15-2-1-3-17(10-15)31-23(32)30-16-6-4-14(5-7-16)8-9-27-22-18-11-19(25)20(26)12-21(18)28-13-29-22/h1-7,10-13H,8-9H2,(H,27,28,29)(H2,30,31,32)
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| InChIKey |
HCFHAUCMQKSIQI-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