General Information of the Compound
| Compound ID |
CP0964047
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(4-methylpentanoyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H30Cl2N4O4
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| Molecular Weight |
533.456
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C(=O)CCC(C)C)CCO1
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| InChI |
InChI=1S/C26H30Cl2N4O4/c1-16(2)4-7-25(33)32-8-9-35-18(13-32)14-36-24-12-22-19(11-23(24)34-3)26(30-15-29-22)31-17-5-6-20(27)21(28)10-17/h5-6,10-12,15-16,18H,4,7-9,13-14H2,1-3H3,(H,29,30,31)
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| InChIKey |
NQRHMWLUXWPKIS-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