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Name | CHEMBL1689812 |
---|---|
Molecular formula | C31H39F3N4O |
IUPAC name | 7,7-dimethyl-5-phenyl-N-[5-[4-(trifluoromethyl)phenyl]nonan-5-yl]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide |
Molecular weight | 540.675 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 7.8 |
Synonyms | SCHEMBL3989065 BDBM50339326 N-{1-Butyl-1-[4-(trifluoromethyl)phenyl]pentyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
Inchi Key | CRQGMSQDGIMFTR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H39F3N4O/c1-5-7-18-30(19-8-6-2,23-14-16-24(17-15-23)31(32,33)34)37-28(39)25-21-35-38-27(25)36-26(20-29(38,3)4)22-12-10-9-11-13-22/h9-17,21,26,36H,5-8,18-20H2,1-4H3,(H,37,39) |
PubChem CID | 136059342 |
ChEMBL | CHEMBL1689812 |
IUPHAR | N/A |
BindingDB | 50339326 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
558777 | Extracellular calcium-sensing receptor | P41180 | CASR | Homo sapiens (Human) | 1078 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417