General Information of the Compound
| Compound ID |
CP0156804
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| Compound Name |
N-[3-[[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C22H19FN6O2S
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| Molecular Weight |
450.499
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| Canonical SMILES |
CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O
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| InChI |
InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)
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| InChIKey |
HTRDLTQRNPEVJH-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