Details
Stereochemistry | ACHIRAL |
Molecular Formula | C25H22BrF3N4O4S |
Molecular Weight | 611.431 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1=NC(C2CC2)=C(N1CC3=CC=C4OC(=C(Br)C4=C3)C5=CC=CC=C5NS(=O)(=O)C(F)(F)F)C(N)=O
InChI
InChIKey=DUEWVPTZCSAMNB-UHFFFAOYSA-N
InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)
Molecular Formula | C25H22BrF3N4O4S |
Molecular Weight | 611.431 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P30556 Gene ID: 185.0 Gene Symbol: AGTR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/7853190 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:52:01 GMT 2023
by
admin
on
Fri Dec 15 18:52:01 GMT 2023
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Record UNII |
HS64NG1G69
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C66930
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HS64NG1G69
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7306
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SUB10444MIG
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146623-69-0
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CHEMBL305544
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DTXSID00163422
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100000084093
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C152297
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DB01347
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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