Molecule card · MolClass #48969
24832107
24832107: 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
- 24832107Mitochondrial Fusion · compound_name
- MolClass ID
- 48969
- InChIKey
- VWKSSDHHKFBLKY-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccn4cc(COc1ccc(cc1)c2ccccc2)nc34
- Standard InChI
- InChI=1S/C21H18N2O/c1-16-6-5-13-23-14-19(22-21(16)23)15-24-20-11-9-18(10-12-20)17-7-3-2-4-8-17/h2-14H,15H2,1H3
- Stored Murcko scaffold
- n1c2ccccn2cc1COc3ccc(cc3)-c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.381 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.188
- 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 · 24832107