Details
Stereochemistry | ACHIRAL |
Molecular Formula | C16H13FN4O2.2Na |
Molecular Weight | 358.278 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[NaH].[NaH].OC1=CC(NC2=NC=C(F)C(NC3=CC=CC(O)=C3)=N2)=CC=C1
InChI
InChIKey=PTULPNDUGQKKCI-UHFFFAOYSA-N
InChI=1S/C16H13FN4O2.2Na.2H/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10;;;;/h1-9,22-23H,(H2,18,19,20,21);;;;
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H13FN4O2 |
Molecular Weight | 312.2984 |
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: CHEMBL2599 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16950297 |
226.0 nM [IC50] | ||
Target ID: Leukotriene C4 production Sources: https://www.ncbi.nlm.nih.gov/pubmed/16950297 |
|||
Target ID: GO:0045576 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16950297 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:27:18 GMT 2023
by
admin
on
Sat Dec 16 10:27:18 GMT 2023
|
Record UNII |
65BJP9FDE9
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Record Status |
Validated (UNII)
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Record Version |
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-
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575476-11-8
Created by
admin on Sat Dec 16 10:27:18 GMT 2023 , Edited by admin on Sat Dec 16 10:27:18 GMT 2023
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65BJP9FDE9
Created by
admin on Sat Dec 16 10:27:18 GMT 2023 , Edited by admin on Sat Dec 16 10:27:18 GMT 2023
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PRIMARY |