General Information of the Compound
| Compound ID |
CP0412654
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| Compound Name |
N-[2-(3-chloro-4-fluoroanilino)quinazolin-4-yl]-N-(furan-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C21H16ClFN4O2
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| Molecular Weight |
410.836
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| Canonical SMILES |
CC(=O)N(Cc1ccco1)c1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12
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| InChI |
InChI=1S/C21H16ClFN4O2/c1-13(28)27(12-15-5-4-10-29-15)20-16-6-2-3-7-19(16)25-21(26-20)24-14-8-9-18(23)17(22)11-14/h2-11H,12H2,1H3,(H,24,25,26)
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| InChIKey |
QXIUAGMTFWTFLK-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