General Information of the Compound
| Compound ID |
CP0921729
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[({3-[(pyridin-2-ylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C24H18Cl2N6O5S
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| Molecular Weight |
573.418
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CS(=O)(=O)c2ccccn2)no1
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| InChI |
InChI=1S/C24H18Cl2N6O5S/c1-35-19-9-15-18(28-13-29-24(15)30-14-5-6-16(25)17(26)8-14)10-20(19)36-11-22-31-21(32-37-22)12-38(33,34)23-4-2-3-7-27-23/h2-10,13H,11-12H2,1H3,(H,28,29,30)
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| InChIKey |
WPKITCNGCYKRNZ-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