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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N4O
Molecular Weight 334.4149
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-168077

SMILES

CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=C(C=CC=C3)C#N

InChI

InChIKey=DNULYRGWTFLJQL-UHFFFAOYSA-N
InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)

HIDE SMILES / InChI

Molecular Formula C20H22N4O
Molecular Weight 334.4149
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
8.7 nM [Ki]
2.81 µM [Ki]
3.74 µM [Ki]
168.0 nM [Ki]
177.0 nM [Ki]
385.0 nM [Ki]
4.01 µM [Ki]
Substance Class Chemical
Record UNII
2A5XS99U8Q
Record Status Validated (UNII)
Record Version