General Information of the Compound
| Compound ID |
CP0508007
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[3- (dimethylamino)-1,2,4-oxadiazol-5- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C20H18Cl2N6O3
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| Molecular Weight |
461.309
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N(C)C
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| InChI |
InChI=1S/C20H18Cl2N6O3/c1-28(2)20-26-18(31-27-20)9-30-17-8-15-12(7-16(17)29-3)19(24-10-23-15)25-11-4-5-13(21)14(22)6-11/h4-8,10H,9H2,1-3H3,(H,23,24,25)
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| InChIKey |
QJMKYRIHQWAKSM-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