General Information of the Compound
| Compound ID |
CP0506011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluorophenyl)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)pyrrolidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30F4N4O
|
||||||||||||||||||
| Molecular Weight |
514.567
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C1CCCN1C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30F4N4O/c29-23-7-3-21(4-8-23)26-2-1-14-36(26)27(37)33-24-12-15-34(16-13-24)18-20-11-17-35(19-20)25-9-5-22(6-10-25)28(30,31)32/h3-11,17,19,24,26H,1-2,12-16,18H2,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHRSFJCSCLETLV-UHFFFAOYSA-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2