General Information of the Compound
| Compound ID |
CP0567339
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4- (3-phenylpropyl)morpholin-2- yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C29H30Cl2N4O3
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| Molecular Weight |
553.49
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCc2ccccc2)CCO1
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| InChI |
InChI=1S/C29H30Cl2N4O3/c1-36-27-15-23-26(32-19-33-29(23)34-21-9-10-24(30)25(31)14-21)16-28(27)38-18-22-17-35(12-13-37-22)11-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,14-16,19,22H,5,8,11-13,17-18H2,1H3,(H,32,33,34)
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| InChIKey |
QOEMXTGSYTXSBD-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