General Information of the Compound
| Compound ID |
CP0923167
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| Compound Name |
N-(3,4-dichlorophenyl)--7-({[4-(3-methylbutyl)-1,4-oxazepan-2-yl]methyl}oxy)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H32Cl2N4O3
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| Molecular Weight |
519.473
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCC(C)C)CCCO1
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| InChI |
InChI=1S/C26H32Cl2N4O3/c1-17(2)7-9-32-8-4-10-34-19(14-32)15-35-25-13-23-20(12-24(25)33-3)26(30-16-29-23)31-18-5-6-21(27)22(28)11-18/h5-6,11-13,16-17,19H,4,7-10,14-15H2,1-3H3,(H,29,30,31)
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| InChIKey |
SFASAOFVHLMKPH-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