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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16BrF3N4O
Molecular Weight 429.234
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-705498

SMILES

FC(F)(F)C1=CN=C(C=C1)N2CC[C@H](C2)NC(=O)NC3=CC=CC=C3Br

InChI

InChIKey=JYILLRHXRVTRSH-GFCCVEGCSA-N
InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16BrF3N4O
Molecular Weight 429.234
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 02:55:49 UTC 2023
Edited
by admin
on Sat Dec 16 02:55:49 UTC 2023
Record UNII
T74V9O0Y2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-705498
Common Name English
UREA, N-(2-BROMOPHENYL)-N'-((3R)-1-(5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-3-PYRROLIDINYL)-
Systematic Name English
GSK705498
Code English
Code System Code Type Description
FDA UNII
T74V9O0Y2W
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
WIKIPEDIA
SB-705498
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID20198236
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
PUBCHEM
9910486
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
SMS_ID
300000042476
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
CAS
501951-42-4
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
DRUG BANK
DB11883
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL207433
Created by admin on Sat Dec 16 02:55:49 UTC 2023 , Edited by admin on Sat Dec 16 02:55:49 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
INHIBITOR
IC50
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ACTIVE MOIETY