General Information of the Compound
| Compound ID |
CP0408129
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| Compound Name |
N-[3-[4-[4-[(4-fluorophenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C22H29FN4O3S
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| Molecular Weight |
448.564
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H29FN4O3S/c1-18(28)25-20-5-4-6-21(17-20)27-15-13-26(14-16-27)12-3-2-11-24-31(29,30)22-9-7-19(23)8-10-22/h4-10,17,24H,2-3,11-16H2,1H3,(H,25,28)
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| InChIKey |
XTYRATUPWPIEHA-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