Molecule card · MolClass #39948
17507154
17507154: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17507154Mitochondrial Fusion · compound_name
- MolClass ID
- 39948
- InChIKey
- FOWYSEYCTZXCHU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)NCc1ccco1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H12N4O4/c1-8-5-10(15(17)18)13-14(8)7-11(16)12-6-9-3-2-4-19-9/h2-5H,6-7H2,1H3,(H,12,16)
- Stored Murcko scaffold
- n1cccn1C[CH]NCc2occc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.629
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17507154