General Information of the Compound
| Compound ID |
CP0513043
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| Compound Name |
N-[[4-chloro-3-[7-chloro-4-oxo-6-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C26H20Cl2F3N3O2
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| Molecular Weight |
534.365
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H20Cl2F3N3O2/c1-13(2)24(35)32-12-14-3-8-20(27)18(9-14)23-33-22-11-21(28)17(10-19(22)25(36)34-23)15-4-6-16(7-5-15)26(29,30)31/h3-11,13H,12H2,1-2H3,(H,32,35)(H,33,34,36)
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| InChIKey |
DONOIZXTZSVGLP-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