General Information of the Compound
| Compound ID |
CP0472221
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| Compound Name |
4-(2-Amino-3- ((3-chloro-4- fluorophenyl) amino)-5- methoxyfuro [2,3-c]pyridin- 7-yl) benzonitrile
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| Structure |
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| Formula |
C21H14ClFN4O2
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| Molecular Weight |
408.82
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| Canonical SMILES |
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(N)oc2c(n1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H14ClFN4O2/c1-28-17-9-14-19(26-13-6-7-16(23)15(22)8-13)21(25)29-20(14)18(27-17)12-4-2-11(10-24)3-5-12/h2-9,26H,25H2,1H3
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| InChIKey |
IKKPASCOWWTKQE-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