General Information of the Compound
| Compound ID |
CP0417393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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-ethylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H47FN4O2
|
||||||||||||||||||
| Molecular Weight |
574.785
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H47FN4O2/c1-4-26(5-2)34(35(41)42)39-23-29(32(24-39)28-13-10-14-30(36)20-28)22-38-17-15-27(16-18-38)33-21-31(37-40(33)6-3)19-25-11-8-7-9-12-25/h7-14,20-21,26-27,29,32,34H,4-6,15-19,22-24H2,1-3H3,(H,41,42)/t29-,32+,34+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGAHBVMCYNCLAQ-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