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Name | CHEMBL315873 |
---|---|
Molecular formula | C31H40N4O5S |
IUPAC name | 1-[2-[4-[(2-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonan-3-yl)methyl]phenyl]phenyl]sulfonyl-3-cyclohexylurea |
Molecular weight | 580.744 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | N-(Cyclohexylcarbamoyl)-2-[4-(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]nonane-2-ylmethyl)phenyl]benzenesulfonamide 4''-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-ylmethyl)-2-sulfonyl-N-cyclohexylureido biphenyl BDBM50089988 |
Inchi Key | BEIVIEJLXARNLI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H40N4O5S/c1-2-3-21-34-28(36)31(19-9-10-20-31)29(37)35(34)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)41(39,40)33-30(38)32-25-11-5-4-6-12-25/h7-8,13-18,25H,2-6,9-12,19-22H2,1H3,(H2,32,33,38) |
PubChem CID | 11801362 |
ChEMBL | CHEMBL315873 |
IUPHAR | N/A |
BindingDB | 50089988 |
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 |
---|---|---|---|---|---|
21577 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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