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Name | CHEMBL245840 |
---|---|
Molecular formula | C32H42N2O5S2 |
IUPAC name | butyl N-[3-[4-[[benzyl(pentanoyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate |
Molecular weight | 598.817 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 7.7 |
Synonyms | BDBM50221317 N-butyloxycarbonyl-3-[4-(N-benzyl-pentylamidomethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide |
Inchi Key | DCDHFBFRPGCTTC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H42N2O5S2/c1-5-7-14-30(35)34(22-25-12-10-9-11-13-25)23-26-15-17-27(18-16-26)29-21-28(20-24(3)4)40-31(29)41(37,38)33-32(36)39-19-8-6-2/h9-13,15-18,21,24H,5-8,14,19-20,22-23H2,1-4H3,(H,33,36) |
PubChem CID | 11444777 |
ChEMBL | CHEMBL245840 |
IUPHAR | N/A |
BindingDB | 50221317 |
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 |
---|---|---|---|---|---|
56237 | Type-1A angiotensin II receptor | P25095 | Agtr1 | Rattus norvegicus (Rat) | 359 |
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