Molecule card · MolClass #35554
14735805
14735805: 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
- 14735805Mitochondrial Fusion · compound_name
- MolClass ID
- 35554
- InChIKey
- HHSCFCYOSJBGHY-UHFFFAOYSA-N
- Canonical SMILES
- [O-][N+]3=CC(c1ccccc1)=[N+]([O-])C2CCCCC23
- Standard InChI
- InChI=1S/C14H16N2O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-3,6-7,10,12-13H,4-5,8-9H2
- Stored Murcko scaffold
- c1ccc(cc1)C=2C=[NH+]C3CCCCC3[NH+]2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.43
- 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 · 14735805