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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23F2N5O2S
Molecular Weight 459.512
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AG-12286

SMILES

C[C@H](CN(C)C)NC(=O)C1=CC=C(NC2=NC(N)=C(S2)C(=O)C3=C(F)C=CC=C3F)C=C1

InChI

InChIKey=KFWFBALDPSVAFT-GFCCVEGCSA-N
InChI=1S/C22H23F2N5O2S/c1-12(11-29(2)3)26-21(31)13-7-9-14(10-8-13)27-22-28-20(25)19(32-22)18(30)17-15(23)5-4-6-16(17)24/h4-10,12H,11,25H2,1-3H3,(H,26,31)(H,27,28)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H23F2N5O2S
Molecular Weight 459.512
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

Substance Class Chemical
Record UNII
SPQ325890Y
Record Status Validated (UNII)
Record Version