Molecule card · MolClass #48906
24836613
24836613: 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
- 24836613Mitochondrial Fusion · compound_name
- MolClass ID
- 48906
- InChIKey
- GAKKRBBXFRSTSG-RCCKNPSSSA-N
- Canonical SMILES
- Oc3cccc(C=NN(Cc1ccccc1)c2ccccc2)c3
- Standard InChI
- InChI=1S/C20H18N2O/c23-20-13-7-10-18(14-20)15-21-22(19-11-5-2-6-12-19)16-17-8-3-1-4-9-17/h1-15,23H,16H2/b21-15+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N(c2ccccc2)Cc3ccccc3
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.
- 24835827#48922
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.05
- 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 · 24836613