Molecule card · MolClass #49019
24830300
24830300: 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
- 24830300Mitochondrial Fusion · compound_name
- MolClass ID
- 49019
- InChIKey
- ZIDKQCBQNLSWTG-RHDGPOJRSA-N
- Canonical SMILES
- CC2CC(=Cc1ccccn1)C(=O)C(C2)=Cc3ccccn3
- Standard InChI
- InChI=1S/C19H18N2O/c1-14-10-15(12-17-6-2-4-8-20-17)19(22)16(11-14)13-18-7-3-5-9-21-18/h2-9,12-14H,10-11H2,1H3/b15-12-,16-13+
- Stored Murcko scaffold
- n1ccccc1C=C2[CH]C(=Cc3ncccc3)CCC2
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.
- 24781837#49810
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.683
- 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 · 24830300