General Information of the Compound
| Compound ID |
CP0513045
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| Compound Name |
N-[[4-chloro-3-(7-chloro-6-morpholin-4-yl-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C23H24Cl2N4O3
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| Molecular Weight |
475.376
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C23H24Cl2N4O3/c1-13(2)22(30)26-12-14-3-4-17(24)15(9-14)21-27-19-11-18(25)20(10-16(19)23(31)28-21)29-5-7-32-8-6-29/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,26,30)(H,27,28,31)
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| InChIKey |
GOKFUUKMHXOMCU-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