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Name | CHEMBL247482 |
---|---|
Molecular formula | C33H37N3O5S2 |
IUPAC name | butyl N-[3-[4-[[benzoyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate |
Molecular weight | 619.795 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 7.0 |
Synonyms | SCHEMBL6820503 BDBM50221305 N-butyloxycarbonyl-3-{4-[N-(pyridin-3-ylmethyl)-benzylamidomethyl]phenyl}-5-iso-butylthiophene-2-sulfonamide |
Inchi Key | ILERKHOBRVOFBH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H37N3O5S2/c1-4-5-18-41-33(38)35-43(39,40)32-30(20-29(42-32)19-24(2)3)27-15-13-25(14-16-27)22-36(23-26-10-9-17-34-21-26)31(37)28-11-7-6-8-12-28/h6-17,20-21,24H,4-5,18-19,22-23H2,1-3H3,(H,35,38) |
PubChem CID | 11157855 |
ChEMBL | CHEMBL247482 |
IUPHAR | N/A |
BindingDB | 50221305 |
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 |
---|---|---|---|---|---|
135921 | Type-1A angiotensin II receptor | P25095 | Agtr1 | Rattus norvegicus (Rat) | 359 |
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