General Information of the Compound
| Compound ID |
CP0240254
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| Compound Name |
1-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C22H16ClF3N6O
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| Molecular Weight |
472.858
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| Canonical SMILES |
Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2c1
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| InChI |
InChI=1S/C22H16ClF3N6O/c23-18-7-6-15(10-17(18)22(24,25)26)32-21(33)31-14-4-2-13(3-5-14)30-20-16-9-12(27)1-8-19(16)28-11-29-20/h1-11H,27H2,(H,28,29,30)(H2,31,32,33)
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| InChIKey |
PKKUTJIJUWHKTD-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