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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17F2N5O2
Molecular Weight 397.3781
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-3145095

SMILES

FC1=CC(F)=C2NC(=O)[C@H](CCC2=C1)NC(=O)C3=NN=C(CC4=CC=CC=C4)N3

InChI

InChIKey=ATQAGKAMBISZQM-HNNXBMFYSA-N
InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H17F2N5O2
Molecular Weight 397.3781
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 14:18:57 UTC 2023
Edited
by admin
on Sat Dec 16 14:18:57 UTC 2023
Record UNII
B4D3WPS7JY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-3145095
Code English
(S)-5-BENZYL-N-(7,9-DIFLUORO-2-OXO-2,3,4,5-TETRAHYDRO-1HBENZO(B)AZEPIN-3-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE (7,7-DIMETHYL-2- OXOBICYCLO(2.2.1)HEPTAN-1-YL)
Common Name English
Code System Code Type Description
FDA UNII
B4D3WPS7JY
Created by admin on Sat Dec 16 14:18:57 UTC 2023 , Edited by admin on Sat Dec 16 14:18:57 UTC 2023
PRIMARY
PUBCHEM
118557502
Created by admin on Sat Dec 16 14:18:57 UTC 2023 , Edited by admin on Sat Dec 16 14:18:57 UTC 2023
PRIMARY
NCI_THESAURUS
C156737
Created by admin on Sat Dec 16 14:18:57 UTC 2023 , Edited by admin on Sat Dec 16 14:18:57 UTC 2023
PRIMARY
CAS
1622849-43-7
Created by admin on Sat Dec 16 14:18:57 UTC 2023 , Edited by admin on Sat Dec 16 14:18:57 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
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ACTIVE MOIETY