General Information of the Compound
| Compound ID |
CP0959857
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(phenylsulfonyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H24Cl2N4O5S
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| Molecular Weight |
575.474
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(S(=O)(=O)c2ccccc2)CCO1
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| InChI |
InChI=1S/C26H24Cl2N4O5S/c1-35-24-12-20-23(29-16-30-26(20)31-17-7-8-21(27)22(28)11-17)13-25(24)37-15-18-14-32(9-10-36-18)38(33,34)19-5-3-2-4-6-19/h2-8,11-13,16,18H,9-10,14-15H2,1H3,(H,29,30,31)
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| InChIKey |
LCTKSVLGCZKLFJ-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