General Information of the Compound
| Compound ID |
CP0410230
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-chlorophenyl)methyl]-1-(1-naphthalen-1-ylsulfonylpyrrolidin-3-yl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26ClN3O4S2
|
||||||||||||||||||
| Molecular Weight |
556.109
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(CC2CCN(C2)S(=O)(=O)c2cccc3ccccc23)Cc2ccc(Cl)cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26ClN3O4S2/c28-23-10-8-20(9-11-23)16-29(19-24-12-13-27(36-24)31(32)33)17-21-14-15-30(18-21)37(34,35)26-7-3-5-22-4-1-2-6-25(22)26/h1-13,21H,14-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
POWWGDXZERDDKC-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