Molecule card · MolClass #46985
24783500
24783500: 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
- 24783500Mitochondrial Fusion · compound_name
- MolClass ID
- 46985
- InChIKey
- QEFVVOXLUWMQJF-UHFFFAOYSA-N
- Canonical SMILES
- CCc3cc(CNC(=O)CCc2nnc(Cc1cccc(C)c1)o2)on3
- Standard InChI
- InChI=1S/C19H22N4O3/c1-3-15-11-16(26-23-15)12-20-17(24)7-8-18-21-22-19(25-18)10-14-6-4-5-13(2)9-14/h4-6,9,11H,3,7-8,10,12H2,1-2H3,(H,20,24)
- Stored Murcko scaffold
- n1nc(oc1Cc2ccccc2)CC[CH]NCc3oncc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.413
- 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 · 24783500