General Information of the Compound
| Compound ID |
CP0383458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Nitro-N-(4-{[(quinolin-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H28N4O4S
|
||||||||||||||||||
| Molecular Weight |
468.579
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O4S/c29-28(30)23-7-3-4-8-24(23)33(31,32)26-16-19-11-9-18(10-12-19)15-25-17-21-14-13-20-5-1-2-6-22(20)27-21/h1-8,13-14,18-19,25-26H,9-12,15-17H2/t18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQBJCVXYFIDHQY-WGSAOQKQSA-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 | |||||||||||||||||||
| 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
Protein ID: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01795, Neuropeptide Y receptor type 5