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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27N3O6S
Molecular Weight 473.542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ro-46-2005

SMILES

COC1=CC=CC(OC2=C(OCCO)N=CN=C2NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)=C1

InChI

InChIKey=ZNXOKLWCOWOECF-UHFFFAOYSA-N
InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C23H27N3O6S
Molecular Weight 473.542
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
200.0 nM [IC50]
500.0 nM [IC50]
Substance Class Chemical
Record UNII
96R6F9J2AV
Record Status Validated (UNII)
Record Version