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Details

Stereochemistry ACHIRAL
Molecular Formula C27H21NO5S
Molecular Weight 471.524
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TTI-101

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(O)C3=C2C=CC=C3)C4=C5C=CC=CC5=CC=C4O

InChI

InChIKey=QDCJDYWGYVPBDO-UHFFFAOYSA-N
InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3

HIDE SMILES / InChI

Molecular Formula C27H21NO5S
Molecular Weight 471.524
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
136.0 nM [Ki]

PubMed

Substance Class Chemical
Record UNII
KZ3DLD11RQ
Record Status Validated (UNII)
Record Version