General Information of the Compound
| Compound ID |
CP0411134
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| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-(1-methylbenzimidazol-2-yl)sulfanylacetate
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| Structure |
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| Formula |
C26H21ClFN5O3S
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| Molecular Weight |
538.004
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CSc1nc2ccccc2n1C
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| InChI |
InChI=1S/C26H21ClFN5O3S/c1-3-35-22-12-20-16(25(30-14-29-20)31-15-8-9-18(28)17(27)10-15)11-23(22)36-24(34)13-37-26-32-19-6-4-5-7-21(19)33(26)2/h4-12,14H,3,13H2,1-2H3,(H,29,30,31)
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| InChIKey |
KGOOREPKBVDWJO-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