General Information of the Compound
| Compound ID |
CP0903416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-Chloro-N-[6-(methylamino)methyl]-7,8-dihydro-2-naphthalenyl][1,1'-biphenyl]-4-carboxamide 2,2,2-trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
516.947
|
||||||||||||||||||
| Canonical SMILES |
CNCC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23ClN2O.C2HF3O2/c1-27-16-17-2-3-22-15-24(13-10-21(22)14-17)28-25(29)20-6-4-18(5-7-20)19-8-11-23(26)12-9-19;3-2(4,5)1(6)7/h4-15,27H,2-3,16H2,1H3,(H,28,29);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAVYUHYRDNLJMZ-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: PT01388, Melanin-concentrating hormone receptor 1