General Information of the Compound
| Compound ID |
CP0540097
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| Compound Name |
5-(2-cyclopropylethynyl)-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H23F2N5O3S
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| Molecular Weight |
475.521
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| Canonical SMILES |
Cc1nc(N2CCC(F)(F)CC2)c(cc1C#CC1CC1)C(=O)Nc1ccnc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C22H23F2N5O3S/c1-14-16(5-4-15-2-3-15)12-18(20(27-14)29-10-7-22(23,24)8-11-29)21(30)28-17-6-9-26-19(13-17)33(25,31)32/h6,9,12-13,15H,2-3,7-8,10-11H2,1H3,(H2,25,31,32)(H,26,28,30)
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| InChIKey |
UQGRTUXRGBIUNG-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