General Information of the Compound
| Compound ID |
CP0428916
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| Compound Name |
N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)piperidin-1-yl]-3H-quinazolin-2-yl]phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H26ClF3N4O2
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| Molecular Weight |
506.956
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)N1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C25H26ClF3N4O2/c1-14(2)23(34)30-13-15-3-6-20(26)19(11-15)22-31-21-12-17(4-5-18(21)24(35)32-22)33-9-7-16(8-10-33)25(27,28)29/h3-6,11-12,14,16H,7-10,13H2,1-2H3,(H,30,34)(H,31,32,35)
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| InChIKey |
SRDRZPHIPMJCSV-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