General Information of the Compound
| Compound ID |
CP0294978
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| Compound Name |
N-[[4-(6-methylpyridin-3-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
Cc1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)N2Cc3ccncc3C2)cc1
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| InChI |
InChI=1S/C21H20N4O3S/c1-15-2-5-20(12-23-15)29(27,28)19-6-3-16(4-7-19)10-24-21(26)25-13-17-8-9-22-11-18(17)14-25/h2-9,11-12H,10,13-14H2,1H3,(H,24,26)
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| InChIKey |
AXOSMMGWCJFHKI-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