General Information of the Compound
| Compound ID |
CP0942612
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)oxy]-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C27H25Cl2FN4O3
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| Molecular Weight |
543.426
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(Cc2ccc(F)cc2)CCO1
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| InChI |
InChI=1S/C27H25Cl2FN4O3/c1-35-25-11-21-24(31-16-32-27(21)33-19-6-7-22(28)23(29)10-19)12-26(25)37-15-20-14-34(8-9-36-20)13-17-2-4-18(30)5-3-17/h2-7,10-12,16,20H,8-9,13-15H2,1H3,(H,31,32,33)
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| InChIKey |
PZXCQEQVQAFMLY-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