General Information of the Compound
| Compound ID |
CP0383467
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C24H28F2N2O2
|
||||||||||||||||||
| Molecular Weight |
414.496
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28F2N2O2/c1-15-13-28(14-16(2)24(15,30)17-6-4-3-5-7-17)23(29)21-12-27-11-20(21)19-9-8-18(25)10-22(19)26/h3-10,15-16,20-21,27,30H,11-14H2,1-2H3/t15-,16+,20-,21+,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXAUIAYYRYRHPY-NGZAGFBYSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2