MetaADEDB 2.0 @ LMMD
EMD 53998
(IZLRMTJLQCLMKF-UHFFFAOYSA-N)
Structure
SMILES
COc1cc(ccc1OC)C(=O)N1CCCc2c1ccc(c2)C1=NNC(=O)SC1C
Molecular Formula:
C22H23N3O4S
Molecular Weight:
425.501
Log P:
3.6752
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
1
TPSA:
105.53
CAS Number(s):
120223-04-3; 147527-31-9; 148714-88-9; 150151-10-3
Synonym(s)
1.
EMD 53998
2.
5-(1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydrochinolin-6-yl)-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-on
3.
EMD 57033
4.
EMD 57439
5.
EMD-53998
6.
EMD-57033
7.
EMD-57439
External Link(s)
MeSHC070609
PubChem Compound187079
BindingDB50280472
50212472
CHEMBLCHEMBL314612
Therapeutic Target DatabaseD0Y6HV
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hepatomegaly24977338CTD
2Neural Tube Defects24977338CTD
3Prenatal Injuries24977338CTD
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