Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06BX05
UNII: TG44VME01D

Structure

InChI Key BFUJHVVEMMWLHC-UHFFFAOYSA-N
Smile O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChI
InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21ClN2O4
Molecular Weight 388.85
AlogP 2.79
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 51.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94598
ChEMBL CHEMBL254857
DrugBank DB13790
DrugCentral 1172
EPA CompTox DTXSID5044657
FDA SRS TG44VME01D
PubChem 3351
SureChEMBL SCHEMBL532910
ZINC ZINC000019632822