General Information of the Compound
| Compound ID |
CP0399833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethyl-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-butyric acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H41F7N4O2
|
||||||||||||||||||
| Molecular Weight |
682.725
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H41F7N4O2/c1-4-46-31(17-29(43-46)14-22-12-26(34(37,38)39)16-27(13-22)35(40,41)42)23-8-10-44(11-9-23)18-25-19-45(32(21(2)3)33(47)48)20-30(25)24-6-5-7-28(36)15-24/h5-7,12-13,15-17,21,23,25,30,32H,4,8-11,14,18-20H2,1-3H3,(H,47,48)/t25-,30+,32+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLLOSAKUXNYYDK-YAFDPGIASA-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