General Information of the Compound
| Compound ID |
CP0677102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(3'-Chloro-4-fluoro-4'-hydroxy-biphenyl-2-yl)-carbamic acid 1-{9-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-nonyl}-piperidin-4-yl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H48ClFN4O7S
|
||||||||||||||||||
| Molecular Weight |
735.319
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3cc(F)ccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H48ClFN4O7S/c1-50(47,48)41-32-22-26(10-14-34(32)44)35(45)24-39-17-7-5-3-2-4-6-8-18-42-19-15-28(16-20-42)49-36(46)40-31-23-27(38)11-12-29(31)25-9-13-33(43)30(37)21-25/h9-14,21-23,28,35,39,41,43-45H,2-8,15-20,24H2,1H3,(H,40,46)/t35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEMARKIPGSUZKA-DHUJRADRSA-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