General Information of the Compound
| Compound ID |
CP0381908
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| Compound Name |
N-[[4-chloro-3-[7-chloro-6-[4-(difluoromethyl)piperidin-1-yl]-4-oxo-3H-quinazolin-2-yl]phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C25H26Cl2F2N4O2
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| Molecular Weight |
523.411
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CCC(CC1)C(F)F
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| InChI |
InChI=1S/C25H26Cl2F2N4O2/c1-13(2)24(34)30-12-14-3-4-18(26)16(9-14)23-31-20-11-19(27)21(10-17(20)25(35)32-23)33-7-5-15(6-8-33)22(28)29/h3-4,9-11,13,15,22H,5-8,12H2,1-2H3,(H,30,34)(H,31,32,35)
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| InChIKey |
HPGITGRXODZEPA-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