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Details

Stereochemistry RACEMIC
Molecular Formula C23H31ClN4O3S
Molecular Weight 479.035
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SR-9011

SMILES

CCCCCNC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC3=CC=C(Cl)C=C3)C1

InChI

InChIKey=PPUYOYQTTWJTIU-UHFFFAOYSA-N
InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)

HIDE SMILES / InChI

Molecular Formula C23H31ClN4O3S
Molecular Weight 479.035
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
790.0 nM [IC50]
560.0 nM [IC50]
Substance Class Chemical
Record UNII
VYI79FLZ6W
Record Status Validated (UNII)
Record Version