Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D01AC12
UNII: QG05NRB077

Structure

InChI Key ZCJYUTQZBAIHBS-UHFFFAOYSA-N
Smile Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1
InChI
InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20Cl2N2OS
Molecular Weight 455.41
AlogP 7.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 27.05
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 83602
ChEMBL CHEMBL1651990
DrugBank DB13434
DrugCentral 1166
EPA CompTox DTXSID7057812
FDA SRS QG05NRB077
PubChem 51755
SureChEMBL SCHEMBL147157