General Information of the Compound
| Compound ID |
CP0923158
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[(4-(fluorophenyl)sulfonyl]morpholin-2-yl}methyl)oxy]-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H23Cl2FN4O5S
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| Molecular Weight |
593.464
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(S(=O)(=O)c2ccc(F)cc2)CCO1
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| InChI |
InChI=1S/C26H23Cl2FN4O5S/c1-36-24-11-20-23(30-15-31-26(20)32-17-4-7-21(27)22(28)10-17)12-25(24)38-14-18-13-33(8-9-37-18)39(34,35)19-5-2-16(29)3-6-19/h2-7,10-12,15,18H,8-9,13-14H2,1H3,(H,30,31,32)
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| InChIKey |
MFJPJXJGMGXYLR-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