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Name | CHEMBL362276 |
---|---|
Molecular formula | C28H31N5O5S |
IUPAC name | 4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(3-pyrimidin-2-ylpropoxy)pyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 549.646 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | BDBM50105028 4-tert-Butyl-N-[5-(3-methoxy-phenoxy)-6-(3-pyrimidin-2-yl-propoxy)-pyrimidin-4-yl]-benzenesulfonamide; compound with methane CHEMBL1184649 |
Inchi Key | GINNMBBZQAYWGE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H31N5O5S/c1-28(2,3)20-11-13-23(14-12-20)39(34,35)33-26-25(38-22-9-5-8-21(18-22)36-4)27(32-19-31-26)37-17-6-10-24-29-15-7-16-30-24/h5,7-9,11-16,18-19H,6,10,17H2,1-4H3,(H,31,32,33) |
PubChem CID | 11124482 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50105028 |
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 |
---|---|---|---|---|---|
97377 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417