EMIXUSTAT HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII AP4OF2M98B
EPA CompTox DTXSID00150670
Parent Compound: EMIXUSTAT

Structure

InChI Key BPZWRYOUJMDQSY-PKLMIRHRSA-N
Smiles Cl.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
InChI
InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26ClNO2
Molecular Weight 299.84
AlogP 3.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 55.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Retinoid isomerohydrolase inhibitor INHIBITOR PubMed

Cross References

Resources Reference
ChEMBL CHEMBL2107829
FDA SRS AP4OF2M98B
PubChem 60162270
SureChEMBL SCHEMBL2206235
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