General Information of the Compound
| Compound ID |
CP0548124
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-4-phenylpyrrolidin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N4O2S
|
||||||||||||||||||
| Molecular Weight |
396.516
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(NC2CN(CC2c2ccccc2)S(=O)(=O)c2cn(C)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N4O2S/c1-16-7-6-10-18(11-16)23-20-13-25(12-19(20)17-8-4-3-5-9-17)28(26,27)21-14-24(2)15-22-21/h3-11,14-15,19-20,23H,12-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDZKULQRRABEFU-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