General Information of the Compound
| Compound ID |
CP0403150
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| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-(1-methylimidazol-2-yl)sulfanylacetate
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| Structure |
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| Formula |
C22H19ClFN5O3S
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| Molecular Weight |
487.944
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nccn1C
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| InChI |
InChI=1S/C22H19ClFN5O3S/c1-3-31-18-10-17-14(9-19(18)32-20(30)11-33-22-25-6-7-29(22)2)21(27-12-26-17)28-13-4-5-16(24)15(23)8-13/h4-10,12H,3,11H2,1-2H3,(H,26,27,28)
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| InChIKey |
BBQZPRCLSSOWJW-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