General Information of the Compound
| Compound ID |
CP0456148
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| Compound Name |
N-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C16H15N3O3S
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| Molecular Weight |
329.381
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1
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| InChI |
InChI=1S/C16H15N3O3S/c1-23(21,22)13-4-2-11(3-5-13)9-18-16(20)15-8-12-10-17-7-6-14(12)19-15/h2-8,10,19H,9H2,1H3,(H,18,20)
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| InChIKey |
MZTCUMXFMVRANG-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