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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24FN3O3S
Molecular Weight 477.55
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-649868

SMILES

CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C3=C4C=COC4=CC=C3)=C(S1)C5=CC=C(F)C=C5

InChI

InChIKey=ZJXIUGNEAIHSBI-IBGZPJMESA-N
InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24FN3O3S
Molecular Weight 477.55
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
1L1V1K2M4V
Record Status Validated (UNII)
Record Version