Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O1ZB1046R1

Structure

InChI Key SBJGFIXQRZOVTO-UHFFFAOYSA-N
Smile O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1
InChI
InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13Cl2NO4
Molecular Weight 354.19
AlogP 3.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 59.75
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Reference
Amebiasis; Dysentery, Amebic; Helminthiasis Phase 4 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 62265-68-3
ChEBI 135493
ChEMBL CHEMBL2107014
DrugBank DB12780
DrugCentral 2344
EPA CompTox DTXSID90211320
FDA SRS O1ZB1046R1
PubChem 71743
SureChEMBL SCHEMBL635943
ZINC ZINC000000538272