General Information of the Compound
| Compound ID |
CP0401650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclobutylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45FN4O2
|
||||||||||||||||||
| Molecular Weight |
572.769
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45FN4O2/c1-2-40-33(21-31(37-40)18-25-8-4-3-5-9-25)27-14-16-38(17-15-27)22-29-23-39(34(35(41)42)19-26-10-6-11-26)24-32(29)28-12-7-13-30(36)20-28/h3-5,7-9,12-13,20-21,26-27,29,32,34H,2,6,10-11,14-19,22-24H2,1H3,(H,41,42)/t29-,32+,34+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLYNHSASOQYQSU-ABAVYFCKSA-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