General Information of the Compound
| Compound ID |
CP0964044
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[4-(2-ethylbutyl)-1,4-oxazepan-2-yl]methyl}oxy)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C27H34Cl2N4O3
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| Molecular Weight |
533.5
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| Canonical SMILES |
CCC(CC)CN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C27H34Cl2N4O3/c1-4-18(5-2)14-33-9-6-10-35-20(15-33)16-36-26-13-24-21(12-25(26)34-3)27(31-17-30-24)32-19-7-8-22(28)23(29)11-19/h7-8,11-13,17-18,20H,4-6,9-10,14-16H2,1-3H3,(H,30,31,32)
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| InChIKey |
KNAPWFDGXYXHLO-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