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Name | CHEMBL1771245 |
---|---|
Molecular formula | C28H25F2N5O |
IUPAC name | N-[3-(1,1-difluoroethyl)phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide |
Molecular weight | 485.539 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50343110 N-(3-(1,1-difluoroethyl)phenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide SCHEMBL13246201 |
Inchi Key | QCMKJUXGMZJXGD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H25F2N5O/c1-18-7-3-4-11-22(18)25-23-17-35(27(36)32-21-10-5-9-20(15-21)28(2,29)30)14-12-24(23)33-26(34-25)19-8-6-13-31-16-19/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,32,36) |
PubChem CID | 54582546 |
ChEMBL | CHEMBL1771245 |
IUPHAR | N/A |
BindingDB | 50343110 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
274959 | P2Y purinoceptor 14 | Q9ESG6 | P2ry14 | Mus musculus (Mouse) | 338 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417