U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H12F5N7O
Molecular Weight 425.3155
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-55308942

SMILES

C[C@H]1CC2=C(CN1C(=O)C3=CC=NC(=C3F)C(F)(F)F)N=NN2C4=NC=C(F)C=N4

InChI

InChIKey=LMDWZBQISRTEBH-QMMMGPOBSA-N
InChI=1S/C17H12F5N7O/c1-8-4-12-11(26-27-29(12)16-24-5-9(18)6-25-16)7-28(8)15(30)10-2-3-23-14(13(10)19)17(20,21)22/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H12F5N7O
Molecular Weight 425.3155
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
B7YN3CQ7S7
Record Status Validated (UNII)
Record Version