General Information of the Compound
| Compound ID |
CP0559989
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| Compound Name |
1-(4-cyano-3,5-difluorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H14F2N4O
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| Molecular Weight |
352.344
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| Canonical SMILES |
Fc1cc(cc(F)c1C#N)-n1c(cc2cccnc12)C(=O)NC1CCC1
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| InChI |
InChI=1S/C19H14F2N4O/c20-15-8-13(9-16(21)14(15)10-22)25-17(19(26)24-12-4-1-5-12)7-11-3-2-6-23-18(11)25/h2-3,6-9,12H,1,4-5H2,(H,24,26)
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| InChIKey |
JYDROABKJNBRFC-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