General Information of the Compound
| Compound ID |
CP0403187
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| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
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| Structure |
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| Formula |
C25H18ClFN4O3S2
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| Molecular Weight |
541.029
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nc2ccccc2s1
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| InChI |
InChI=1S/C25H18ClFN4O3S2/c1-2-33-20-11-19-15(24(29-13-28-19)30-14-7-8-17(27)16(26)9-14)10-21(20)34-23(32)12-35-25-31-18-5-3-4-6-22(18)36-25/h3-11,13H,2,12H2,1H3,(H,28,29,30)
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| InChIKey |
LIAVXJINZNTHIC-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