Structure

InChI Key TVPJGGZLZLUPOB-SPIKMXEPSA-N
Smile CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C24H31N3O2S.2C4H4O4/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28;2*5-3(6)1-2-4(7)8/h3-4,6-9,18,28H,2,5,10-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H39N3O10S
Molecular Weight 657.74
AlogP 3.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 47.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist ISBN PubMed Wikipedia

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 51241
ChEMBL CHEMBL2358147
EPA CompTox DTXSID2047852
FDA SRS 0HX1Z0A2MC
PubChem 6433356
SureChEMBL SCHEMBL120590