Molecule card · MolClass #47411
24820682
24820682: 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
- 24820682Mitochondrial Fusion · compound_name
- MolClass ID
- 47411
- InChIKey
- QEOYVFLPZKNJGR-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)n1cc(cn1)C(=O)c3ccc2ccccc2c3(O)
- Standard InChI
- InChI=1S/C18H18N2O2/c1-18(2,3)20-11-13(10-19-20)16(21)15-9-8-12-6-4-5-7-14(12)17(15)22/h4-11,22H,1-3H3
- Stored Murcko scaffold
- n1cc(c[nH]1)[CH]c2ccc3ccccc3c2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.658
- 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 · 24820682