General Information of the Compound
| Compound ID |
CP0313994
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| Compound Name |
6-amino-N-[[4-(benzenesulfonyl)phenyl]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 |
Nc1cc2CN(Cc2cn1)C(=O)NCc1ccc(cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20N4O3S/c22-20-10-16-13-25(14-17(16)12-23-20)21(26)24-11-15-6-8-19(9-7-15)29(27,28)18-4-2-1-3-5-18/h1-10,12H,11,13-14H2,(H2,22,23)(H,24,26)
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| InChIKey |
VHOOFVPYTQBXPY-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