General Information of the Compound
| Compound ID |
CP0961515
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| Compound Name |
N-(3,4-dichloropheny)-6-(methyloxy)-7-({[4-(2-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 |
CCCC(C)C(=O)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C26H30Cl2N4O4/c1-4-5-16(2)26(33)32-8-9-35-18(13-32)14-36-24-12-22-19(11-23(24)34-3)25(30-15-29-22)31-17-6-7-20(27)21(28)10-17/h6-7,10-12,15-16,18H,4-5,8-9,13-14H2,1-3H3,(H,29,30,31)
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| InChIKey |
VBRGKAXLFVNGHF-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