General Information of the Compound
| Compound ID |
CP0900963
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(tetrahydro-2H-pyran-4-yl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C25H28Cl2N4O4
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| Molecular Weight |
519.429
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C2CCOCC2)CCO1
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| InChI |
InChI=1S/C25H28Cl2N4O4/c1-32-23-11-19-22(28-15-29-25(19)30-16-2-3-20(26)21(27)10-16)12-24(23)35-14-18-13-31(6-9-34-18)17-4-7-33-8-5-17/h2-3,10-12,15,17-18H,4-9,13-14H2,1H3,(H,28,29,30)
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| InChIKey |
GVKSFOCLIXUHCD-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