General Information of the Compound
| Compound ID |
CP0573432
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| Compound Name |
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H25F2N5O3S
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| Molecular Weight |
465.526
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| Canonical SMILES |
NS(=O)(=O)c1cc(NC(=O)c2ccc(CC3CC3)nc2N2CCCC(F)(F)CC2)ccn1
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| InChI |
InChI=1S/C21H25F2N5O3S/c22-21(23)7-1-10-28(11-8-21)19-17(5-4-15(26-19)12-14-2-3-14)20(29)27-16-6-9-25-18(13-16)32(24,30)31/h4-6,9,13-14H,1-3,7-8,10-12H2,(H2,24,30,31)(H,25,27,29)
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| InChIKey |
GUEJTBCSKZGCPZ-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