General Information of the Compound
| Compound ID |
CP0851070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Cyclohexylamino)-4'-(2-{[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino}ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Trihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39Cl3N4O4S
|
||||||||||||||||||
| Molecular Weight |
646.081
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1NC1CCCCC1.Cl.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N4O4S.3ClH/c1-38(36,37)33-29(35)26-14-13-23(18-27(26)32-25-7-3-2-4-8-25)22-11-9-21(10-12-22)15-17-31-20-28(34)24-6-5-16-30-19-24;;;/h5-6,9-14,16,18-19,25,28,31-32,34H,2-4,7-8,15,17,20H2,1H3,(H,33,35);3*1H/t28-;;;/m0.../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZKKOFUGVBFEQP-FPCIESGBSA-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor