General Information of the Compound
| Compound ID |
CP0082990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-trifluoromethyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36F4N4O2
|
||||||||||||||||||
| Molecular Weight |
572.647
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)C(F)(F)F)[C@H](C1)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36F4N4O2/c32-25-6-2-5-22(14-25)26-19-38(27(30(40)41)13-20-3-1-4-20)17-23(26)16-37-11-9-21(10-12-37)28-15-36-29-8-7-24(18-39(28)29)31(33,34)35/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,40,41)/t23-,26+,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXLAACMWTDRWNI-HUROMRQRSA-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