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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19F3N4O2.ClH
Molecular Weight 464.868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-243213

SMILES

Cl.CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(OC4=C(C)N=CC=C4)C=C3

InChI

InChIKey=OOOGUILTDUSZPA-UHFFFAOYSA-N
InChI=1S/C22H19F3N4O2.ClH/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2;/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30);1H

HIDE SMILES / InChI

Molecular Formula C22H19F3N4O2
Molecular Weight 428.4071
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

Molecular Formula ClH
Molecular Weight 36.461
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
9.37 null [pKi]

PubMed

Patents

Substance Class Chemical
Record UNII
PA86JD65ZJ
Record Status Validated (UNII)
Record Version