General Information of the Compound
| Compound ID |
CP0280903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-((1R,2R)-2-(cyclohexyl(methyl)amino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N3O3
|
||||||||||||||||||
| Molecular Weight |
463.622
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N3O3/c1-20(30(4)24-8-6-5-7-9-24)26(31-15-14-29-19-31)23-11-10-22-17-25(13-12-21(22)16-23)34-18-28(2,3)27(32)33/h10-17,19-20,24,26H,5-9,18H2,1-4H3,(H,32,33)/t20-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITQXAONDFWOMPJ-IBVKSMDESA-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