General Information of the Compound
| Compound ID |
CP0910871
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| Compound Name |
1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)benzyl]amino}ethaniminium chloride
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| Structure |
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| Formula |
C17H22ClN3O2S
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| Molecular Weight |
367.902
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| Canonical SMILES |
CC(=N)NCc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1.Cl
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| InChI |
InChI=1S/C17H21N3O2S.ClH/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18;/h3-10,20H,11-12H2,1-2H3,(H2,18,19);1H
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| InChIKey |
LCRIBTICRYXFSP-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