General Information of the Compound
| Compound ID |
CP0487723
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[2- (dimethylamino)-1,3-thiazol-4-yl]methyl}oxy)- 6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C21H19Cl2N5O2S
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| Molecular Weight |
476.389
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N(C)C
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| InChI |
InChI=1S/C21H19Cl2N5O2S/c1-28(2)21-27-13(10-31-21)9-30-19-8-17-14(7-18(19)29-3)20(25-11-24-17)26-12-4-5-15(22)16(23)6-12/h4-8,10-11H,9H2,1-3H3,(H,24,25,26)
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| InChIKey |
DGOBVCDUGLUZMU-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