General Information of the Compound
| Compound ID |
CP0529839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-((R)-1-{(R)-3-[2-(3-Chloro-4-methyl-phenyl)-1,1-dimethyl-ethylamino]-2-hydroxy-propoxy}-ethyl)-phenyl]-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40ClNO4
|
||||||||||||||||||
| Molecular Weight |
526.117
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(Cl)c1)c1ccccc1C1CC2CC1C1C2C1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40ClNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20?,21-,24?,25?,27?,28?,29?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHBGWLNDGOELCK-CFZMFYMSSA-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