General Information of the Compound
| Compound ID |
CP0961516
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[4-(2,2-dimethylpropanoyl)morpholin-2-yl]methyl}oxy)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C25H28Cl2N4O4
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| Molecular Weight |
519.429
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)C(C)(C)C)CCO1
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| InChI |
InChI=1S/C25H28Cl2N4O4/c1-25(2,3)24(32)31-7-8-34-16(12-31)13-35-22-11-20-17(10-21(22)33-4)23(29-14-28-20)30-15-5-6-18(26)19(27)9-15/h5-6,9-11,14,16H,7-8,12-13H2,1-4H3,(H,28,29,30)
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| InChIKey |
JXWOGDLXVWLJMH-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