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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24Cl2N2O
Molecular Weight 391.334
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICI-199441

SMILES

CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(Cl)=C(Cl)C=C3

InChI

InChIKey=AEJOEPSMZCEYJN-HXUWFJFHSA-N
InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24Cl2N2O
Molecular Weight 391.334
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.04 nM [Ki]
53.0 nM [Ki]
24.0 nM [Ki]
26.0 nM [IC50]
Substance Class Chemical
Record UNII
Q5R50X7L6M
Record Status Validated (UNII)
Record Version