General Information of the Compound
| Compound ID |
CP0525971
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| Compound Name |
N-[3-[4-[4-(cyclohexylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C22H36N4O3S
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| Molecular Weight |
436.622
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)C2CCCCC2)CC1
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| InChI |
InChI=1S/C22H36N4O3S/c1-19(27)24-20-8-7-9-21(18-20)26-16-14-25(15-17-26)13-6-5-12-23-30(28,29)22-10-3-2-4-11-22/h7-9,18,22-23H,2-6,10-17H2,1H3,(H,24,27)
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| InChIKey |
CDYPPCDOSCBLSH-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