General Information of the Compound
| Compound ID |
CP0964048
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(3-phenylpropanoyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C29H28Cl2N4O4
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| Molecular Weight |
567.473
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)CCc2ccccc2)CCO1
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| InChI |
InChI=1S/C29H28Cl2N4O4/c1-37-26-14-22-25(32-18-33-29(22)34-20-8-9-23(30)24(31)13-20)15-27(26)39-17-21-16-35(11-12-38-21)28(36)10-7-19-5-3-2-4-6-19/h2-6,8-9,13-15,18,21H,7,10-12,16-17H2,1H3,(H,32,33,34)
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| InChIKey |
DLZJESFGQYKOIJ-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