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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26F2N6O2S
Molecular Weight 476.543
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JAB-3068

SMILES

CC(=O)N1CC(F)(F)C2=C(SC3=NC=C(N=C3N)N4CCC5(COC[C@H]5N)CC4)C=CC=C12

InChI

InChIKey=HGYTYZKWKUXRKA-MRXNPFEDSA-N
InChI=1S/C22H26F2N6O2S/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26F2N6O2S
Molecular Weight 476.543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:06:58 GMT 2023
Edited
by admin
on Sat Dec 16 15:06:58 GMT 2023
Record UNII
V6Q7413SA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JAB-3068
Code English
ETHANONE, 1-(4-((3-AMINO-5-((4S)-4-AMINO-2-OXA-8-AZASPIRO(4.5)DEC-8-YL)-2-PYRAZINYL)THIO)-3,3-DIFLUORO-2,3-DIHYDRO-1H-INDOL-1-YL)-
Systematic Name English
JAB 3068 [WHO-DD]
Common Name English
JAB3068
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 676318
Created by admin on Sat Dec 16 15:06:58 GMT 2023 , Edited by admin on Sat Dec 16 15:06:58 GMT 2023
Code System Code Type Description
PUBCHEM
132222602
Created by admin on Sat Dec 16 15:06:58 GMT 2023 , Edited by admin on Sat Dec 16 15:06:58 GMT 2023
PRIMARY
NCI_THESAURUS
C160207
Created by admin on Sat Dec 16 15:06:58 GMT 2023 , Edited by admin on Sat Dec 16 15:06:58 GMT 2023
PRIMARY
FDA UNII
V6Q7413SA8
Created by admin on Sat Dec 16 15:06:58 GMT 2023 , Edited by admin on Sat Dec 16 15:06:58 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY