General Information of the Compound
| Compound ID |
CP0524213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-bis[(4-methylphenyl)sulfonylmethyl]-1-phenylmethanamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
65950-40-5
AC1MXBV6
AKOS027445593
BDBM50232467
Benzenemethanamine, N,N-bis[[(4-methylphenyl)sulfonyl]methyl]-
Benzylbis[(4-methylbenzenesulfonyl)methyl]amine
CHEMBL399303
CTK1I1277
DTXSID60396416
N,N-Bis(tosylmethyl)benzenemethanamine
N,N-bis[(4-methylphenyl)sulfonylmethyl]-1-phenylmethanamine
Phenyl-N,N-bis(tosylmethyl)methanamine
SCHEMBL3972986
ZINC15776492
phenyl-N,N-bis(tosylmethyl)methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25NO4S2
|
||||||||||||||||||
| Molecular Weight |
443.59
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)CN(Cc1ccccc1)CS(=O)(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25NO4S2/c1-19-8-12-22(13-9-19)29(25,26)17-24(16-21-6-4-3-5-7-21)18-30(27,28)23-14-10-20(2)11-15-23/h3-15H,16-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQKVTPWQOSNHBI-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound