Molecule card · MolClass #51746
14730314
14730314: 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
- 14730314Mitochondrial Fusion · compound_name
- MolClass ID
- 51746
- InChIKey
- FVEYCFBBMOJMMY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3ncn(CCCCOc1ccccc1)c3(cc2(C))
- Standard InChI
- InChI=1S/C19H22N2O/c1-15-12-18-19(13-16(15)2)21(14-20-18)10-6-7-11-22-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
- Stored Murcko scaffold
- n1cn(c2ccccc12)CCCCOc3ccccc3
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.
- 24812892#49283
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.938
- 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 · 14730314