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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H13ClF4N6O
Molecular Weight 440.782
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-54175446

SMILES

C[C@H]1N(CCC2=C1N=NN2C3=NC=C(F)C=N3)C(=O)C4=CC=CC(=C4Cl)C(F)(F)F

InChI

InChIKey=CWFVVQFVGMFTBD-SECBINFHSA-N
InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H13ClF4N6O
Molecular Weight 440.782
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
32524GLF40
Record Status Validated (UNII)
Record Version