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Name | SMR000016951 |
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Molecular formula | C21H19N3O5 |
IUPAC name | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide |
Molecular weight | 393.399 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | cid_3242073 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)-2,4-diketo-1H-pyrimidine-5-carboxamide MCULE-3871135898 N-2,3-dihydro-1,4-benzodioxin-6-yl-3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide BDBM37332 [ Show all ] |
Inchi Key | AYDRQXWCJIQSOB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H19N3O5/c1-12-3-5-15(9-13(12)2)24-20(26)16(11-22-21(24)27)19(25)23-14-4-6-17-18(10-14)29-8-7-28-17/h3-6,9-11H,7-8H2,1-2H3,(H,22,27)(H,23,25) |
PubChem CID | 3242073 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 37332 |
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 |
---|---|---|---|---|---|
17366 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218