General Information of the Compound
| Compound ID |
CP0394232
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| Compound Name |
N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]butanamide
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| Structure |
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| Formula |
C25H36N4O3S
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| Molecular Weight |
472.655
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| Canonical SMILES |
CCCC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C25H36N4O3S/c1-3-7-25(30)27-22-8-6-9-23(20-22)29-18-16-28(17-19-29)15-5-4-14-26-33(31,32)24-12-10-21(2)11-13-24/h6,8-13,20,26H,3-5,7,14-19H2,1-2H3,(H,27,30)
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| InChIKey |
WDUOEIRZGDBJQQ-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