THIOPROPAZATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N05AB05
UNII: 0JFY081Q2X

Structure
InChI Key AIUHRQHVWSUTGJ-UHFFFAOYSA-N
Smile CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI
InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28ClN3O2S
Molecular Weight 446.02
AlogP 4.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 36.02
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 59119
ChEMBL CHEMBL1697851
DrugBank DB13557
DrugCentral 2634
EPA CompTox DTXSID6023654
FDA SRS 0JFY081Q2X
PubChem 6762
SureChEMBL SCHEMBL144729
ZINC ZINC000022446680
CONTENTS