General Information of the Compound
| Compound ID |
CP0563761
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(4- pyridin-4-yl-1,3-thiazol-2- yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C24H17Cl2N5O2S
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| Molecular Weight |
510.406
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccncc1
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| InChI |
InChI=1S/C24H17Cl2N5O2S/c1-32-21-9-16-19(28-13-29-24(16)30-15-2-3-17(25)18(26)8-15)10-22(21)33-11-23-31-20(12-34-23)14-4-6-27-7-5-14/h2-10,12-13H,11H2,1H3,(H,28,29,30)
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| InChIKey |
VRXGZDANOSIHSR-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