General Information of the Compound
| Compound ID |
CP0411841
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| Compound Name |
N-[[4-chloro-3-[4-oxo-7-[6-(trifluoromethyl)pyridin-3-yl]-3H-quinazolin-2-yl]phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H20ClF3N4O2
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| Molecular Weight |
500.908
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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| InChIKey |
OZJJONNFMCAYOG-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