General Information of the Compound
| Compound ID |
CP0961514
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(1-methylpiperidin-4yl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H31Cl2N5O3
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| Molecular Weight |
532.472
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C2CCN(C)CC2)CCO1
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| InChI |
InChI=1S/C26H31Cl2N5O3/c1-32-7-5-18(6-8-32)33-9-10-35-19(14-33)15-36-25-13-23-20(12-24(25)34-2)26(30-16-29-23)31-17-3-4-21(27)22(28)11-17/h3-4,11-13,16,18-19H,5-10,14-15H2,1-2H3,(H,29,30,31)
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| InChIKey |
VAVQZIDKZKBTTR-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