General Information of the Compound
| Compound ID |
CP0387361
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| Compound Name |
4-(2-Amino-3- ((3-chloro-4- fluorophenyl) amino)furo [2,3-c]pyridin- 7-yl) benzonitrile
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| Structure |
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| Formula |
C20H12ClFN4O
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| Molecular Weight |
378.794
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| Canonical SMILES |
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H12ClFN4O/c21-15-9-13(5-6-16(15)22)26-18-14-7-8-25-17(19(14)27-20(18)24)12-3-1-11(10-23)2-4-12/h1-9,26H,24H2
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| InChIKey |
XJKLWSDYPJFVME-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