General Information of the Compound
| Compound ID |
CP0406346
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| Compound Name |
N-[(4-cyclohexylsulfonylphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
O=C(NCc1ccc(cc1)S(=O)(=O)C1CCCCC1)N1Cc2ccncc2C1
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| InChI |
InChI=1S/C21H25N3O3S/c25-21(24-14-17-10-11-22-13-18(17)15-24)23-12-16-6-8-20(9-7-16)28(26,27)19-4-2-1-3-5-19/h6-11,13,19H,1-5,12,14-15H2,(H,23,25)
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| InChIKey |
FSKWZBIVMXYVIB-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