Molecule card · MolClass #51415
14743718
14743718: 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
- 14743718Mitochondrial Fusion · compound_name
- MolClass ID
- 51415
- InChIKey
- HRPDYESAZQHKFY-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccco1)N(C(=O)COc2ccccc2[N+](=O)[O-])c3ccccn3
- Standard InChI
- InChI=1S/C19H17N3O5/c1-14(16-9-6-12-26-16)21(18-10-4-5-11-20-18)19(23)13-27-17-8-3-2-7-15(17)22(24)25/h2-12,14H,13H2,1H3
- Stored Murcko scaffold
- n1ccccc1N([CH]COc2ccccc2)Cc3occc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.118
- 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 · 14743718