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Name | CHEMBL2152748 |
---|---|
Molecular formula | C25H34N6OS |
IUPAC name | [4-[2-[[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone |
Molecular weight | 466.648 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | BDBM50392127 (6R)-N'-Propyl-N'-[2-[4-[(1H-indole-2-yl)carbonyl]piperazino]ethyl]-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine |
Inchi Key | CPWJJWMVFFZCGJ-LJQANCHMSA-N |
Inchi ID | InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m1/s1 |
PubChem CID | 60166234 |
ChEMBL | CHEMBL2152748 |
IUPHAR | N/A |
BindingDB | 50392127 |
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 |
---|---|---|---|---|---|
47768 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
47767 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
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