General Information of the Compound
| Compound ID |
CP0913136
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| Compound Name |
N-Acetyl-2-(phenylsulfonyl)-5-(piperazin-1-yl)aniline hydrochloride
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| Structure |
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| Formula |
C18H22ClN3O3S
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| Molecular Weight |
395.912
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| Canonical SMILES |
CC(=O)Nc1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1.Cl
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| InChI |
InChI=1S/C18H21N3O3S.ClH/c1-14(22)20-17-13-15(21-11-9-19-10-12-21)7-8-18(17)25(23,24)16-5-3-2-4-6-16;/h2-8,13,19H,9-12H2,1H3,(H,20,22);1H
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| InChIKey |
KHNFGJPEIMHLHI-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