General Information of the Compound
| Compound ID |
CP0942613
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(pyridin-2-ylmethyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H25Cl2N5O3
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| Molecular Weight |
526.424
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(Cc2ccccn2)CCO1
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| InChI |
InChI=1S/C26H25Cl2N5O3/c1-34-24-11-20-23(30-16-31-26(20)32-17-5-6-21(27)22(28)10-17)12-25(24)36-15-19-14-33(8-9-35-19)13-18-4-2-3-7-29-18/h2-7,10-12,16,19H,8-9,13-15H2,1H3,(H,30,31,32)
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| InChIKey |
KOHLHBQFFZUSET-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