General Information of the Compound
| Compound ID |
CP0403146
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| Compound Name |
[2-[[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl]amino]-2-oxoethyl] 2,6-dimethylbenzoate
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| Structure |
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| Formula |
C27H24ClFN4O4
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| Molecular Weight |
522.964
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)COC(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C27H24ClFN4O4/c1-4-36-23-12-21-18(26(31-14-30-21)32-17-8-9-20(29)19(28)10-17)11-22(23)33-24(34)13-37-27(35)25-15(2)6-5-7-16(25)3/h5-12,14H,4,13H2,1-3H3,(H,33,34)(H,30,31,32)
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| InChIKey |
YFNBZJIRUPSVRG-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