General Information of the Compound
| Compound ID |
CP0453753
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| Compound Name |
2-methyl-N-{4-[1-(piperidine-1-carbonyl)-piperidin-4-ylsulfamoyl]-naphthalen-1-yl}-benzamide
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| Structure |
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| Formula |
C29H34N4O4S
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| Molecular Weight |
534.682
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C29H34N4O4S/c1-21-9-3-4-10-23(21)28(34)30-26-13-14-27(25-12-6-5-11-24(25)26)38(36,37)31-22-15-19-33(20-16-22)29(35)32-17-7-2-8-18-32/h3-6,9-14,22,31H,2,7-8,15-20H2,1H3,(H,30,34)
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| InChIKey |
XBNXUTMILCXSPR-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