General Information of the Compound
| Compound ID |
CP0529661
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| Compound Name |
1-methyl-piperidine-4-carboxylic acid [4-(1-butyryl-piperidin-4-ylsulfamoyl)-naphthalen-1-yl]-amide
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| Structure |
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| Formula |
C26H36N4O4S
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| Molecular Weight |
500.665
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H36N4O4S/c1-3-6-25(31)30-17-13-20(14-18-30)28-35(33,34)24-10-9-23(21-7-4-5-8-22(21)24)27-26(32)19-11-15-29(2)16-12-19/h4-5,7-10,19-20,28H,3,6,11-18H2,1-2H3,(H,27,32)
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| InChIKey |
PDIBBCTZVFJGTC-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