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Ligand

Namecid_654562
Molecular formulaC19H20N4O2S
IUPAC name1'-acetyl-4-imino-11,13-dimethylspiro[3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-6,4'-piperidine]-5-carbonitrile
Molecular weight368.455
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.6
Synonyms2''-azanyl-1-ethanoyl-7'',9''-dimethyl-spiro[piperidine-4,4''-pyrano[3,4]thieno[1,3-b]pyridine]-3''-carbonitrile
1-acetyl-2''-amino-7'',9''-dimethyl-spiro[piperidine-4,4''-pyrano[3,4]thieno[1,3-b]pyridine]-3''-carbonitrile
1-acetyl-2''-amino-7'',9''-dimethylspiro[piperidine-4,4''-pyrano[3,4]thieno[1,3-b]pyridine]-3''-carbonitrile
BDBM48916
1-acetyl-2''-amino-7'',9''-dimethyl-3''-spiro[piperidine-4,4''-pyrano[3,4]thieno[1,3-b]pyridine]carbonitrile
Inchi KeyAGBGCBNXVPXCIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N4O2S/c1-10-8-11(2)22-18-14(10)15-16(26-18)19(13(9-20)17(21)25-15)4-6-23(7-5-19)12(3)24/h8,13,21H,4-7H2,1-3H3
PubChem CID91896777
ChEMBLN/A
IUPHARN/A
BindingDB48916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4720D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477

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