General Information of the Compound
| Compound ID |
CP0333595
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| Compound Name |
6-[4-(2-methanesulfonamidophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
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| Structure |
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| Formula |
C27H38N4O3S
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| Molecular Weight |
498.693
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C27H38N4O3S/c1-35(33,34)29-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)28-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,29H,2-3,8-9,11,14,16-21H2,1H3,(H,28,32)
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| InChIKey |
PUVLRPJSGDJKOF-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