Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.172 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC2=C(O)C=CC=C2C(=O)N1
InChI
InChIKey=YJDAOHJWLUNFLX-UHFFFAOYSA-N
InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.172 |
| 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: P09874 Gene ID: 142.0 Gene Symbol: PARP1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9857092 |
400.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:29:26 GMT 2025
by
admin
on
Tue Apr 01 16:29:26 GMT 2025
|
| Record UNII |
X5ZL2C7V9B
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| Record Status |
Validated (UNII)
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| Record Version |
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