General Information of the Compound
| Compound ID |
CP0552580
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| Compound Name |
5-(4-hydroxy-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
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| Structure |
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| Formula |
C27H30N4O4S
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| Molecular Weight |
506.628
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3nc(ccc23)-c2ccc(O)cc2C)cc1
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| InChI |
InChI=1S/C27H30N4O4S/c1-18-15-20(32)7-10-22(18)23-11-12-24-25(30-23)27(13-3-4-14-27)17-31(24)26(33)29-16-19-5-8-21(9-6-19)36(34,35)28-2/h5-12,15,28,32H,3-4,13-14,16-17H2,1-2H3,(H,29,33)
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| InChIKey |
LRZLWEPJKYOTMH-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