General Information of the Compound
| Compound ID |
CP0454371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(RS)-3-(Cyclopropyl-{(2R)-2-hydroxy-3-[2-methyl-1-(naphthalen-2-yl)propan-2-ylamino]propoxy}methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33NO4
|
||||||||||||||||||
| Molecular Weight |
447.575
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1cccc(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33NO4/c1-28(2,16-19-10-11-20-6-3-4-7-22(20)14-19)29-17-25(30)18-33-26(21-12-13-21)23-8-5-9-24(15-23)27(31)32/h3-11,14-15,21,25-26,29-30H,12-13,16-18H2,1-2H3,(H,31,32)/t25-,26?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUNYTVFURZZBAR-DCWQJPKNSA-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