General Information of the Compound
| Compound ID |
CP0543836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-Cyclohexyl-[(2S,3S)-3-{4-[2-ethyl-5-(3-fluoro-benzyl)-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H46F2N4O2
|
||||||||||||||||||
| Molecular Weight |
604.786
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H46F2N4O2/c1-2-42-34(21-32(39-42)19-25-8-6-12-30(37)18-25)26-14-16-40(17-15-26)22-29-23-41(24-33(29)28-11-7-13-31(38)20-28)35(36(43)44)27-9-4-3-5-10-27/h6-8,11-13,18,20-21,26-27,29,33,35H,2-5,9-10,14-17,19,22-24H2,1H3,(H,43,44)/t29-,33+,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJMCMZGIYUMSRA-HMQVCXRFSA-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