General Information of the Compound
| Compound ID |
CP0384334
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| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-(1H-imidazol-2-ylsulfanyl)acetate
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| Structure |
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| Formula |
C21H17ClFN5O3S
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| Molecular Weight |
473.917
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1ncc[nH]1
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| InChI |
InChI=1S/C21H17ClFN5O3S/c1-2-30-17-9-16-13(8-18(17)31-19(29)10-32-21-24-5-6-25-21)20(27-11-26-16)28-12-3-4-15(23)14(22)7-12/h3-9,11H,2,10H2,1H3,(H,24,25)(H,26,27,28)
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| InChIKey |
TUFACGKVZLPVIL-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