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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N2O4
Molecular Weight 378.4211
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLPG-1205

SMILES

O=C1N=C(OC[C@@H]2COCCO2)C=C3N1CCC4=CC(=CC=C34)C#CC5CC5

InChI

InChIKey=IRBAWVGZNJIROV-SFHVURJKSA-N
InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22N2O4
Molecular Weight 378.4211
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
K9WR6LRA5D
Record Status Validated (UNII)
Record Version