General Information of the Compound
| Compound ID |
CP0430857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-Cyclohexyl-[(2S,3S)-3-{4-[5-(4-ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H51FN4O3
|
||||||||||||||||||
| Molecular Weight |
630.849
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H](C4CCCCC4)C(O)=O)CC3)n(CC)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H51FN4O3/c1-3-43-36(23-33(40-43)21-27-13-15-34(16-14-27)46-4-2)28-17-19-41(20-18-28)24-31-25-42(26-35(31)30-11-8-12-32(39)22-30)37(38(44)45)29-9-6-5-7-10-29/h8,11-16,22-23,28-29,31,35,37H,3-7,9-10,17-21,24-26H2,1-2H3,(H,44,45)/t31-,35+,37+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLLRESRTLSJGCS-FCWLVIOWSA-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