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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N3O2S
Molecular Weight 265.331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-(METHYLAMINO)ETHYL)ISOQUINOLINE-5-SULFONAMIDE

SMILES

CNCCNS(=O)(=O)C1=CC=CC2=CN=CC=C12

InChI

InChIKey=PJWUXKNZVMEPPH-UHFFFAOYSA-N
InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H15N3O2S
Molecular Weight 265.331
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
36.0 µM [IC50]
100.0 µM [IC50]
15.0 µM [Ki]
Substance Class Chemical
Record UNII
TX277E49WT
Record Status Validated (UNII)
Record Version