General Information of the Compound
| Compound ID |
CP0853351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methoxy-N-((1R,2R)-2-(1-(naphthalen-1-yl)ethylamino)cyclohexyl)benzenesulfonamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
475.054
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(C)c2cccc3ccccc23)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O3S.ClH/c1-18(22-11-7-9-19-8-3-4-10-23(19)22)26-24-12-5-6-13-25(24)27-31(28,29)21-16-14-20(30-2)15-17-21;/h3-4,7-11,14-18,24-27H,5-6,12-13H2,1-2H3;1H/t18?,24-,25-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPBHKWTXIIAJGF-TVWFESHXSA-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