General Information of the Compound
| Compound ID |
CP0845333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Piperidine-1-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-amide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30Cl2N4O3S
|
||||||||||||||||||
| Molecular Weight |
477.458
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28N4O3S.2ClH/c25-20(18-5-4-11-21-15-18)16-22-12-10-17-6-8-19(9-7-17)23-28(26,27)24-13-2-1-3-14-24;;/h4-9,11,15,20,22-23,25H,1-3,10,12-14,16H2;2*1H/t20-;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABWNSJWYYQDFEI-FJSYBICCSA-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