Molecule card · MolClass #47869
4262451
4262451: 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
- 4262451Mitochondrial Fusion · compound_name
- MolClass ID
- 47869
- InChIKey
- FEAVQOFMKJXHBZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc2ccccc2(NC(=O)CC1NCCNC1(=O))
- Standard InChI
- InChI=1S/C14H19N3O3/c1-2-20-12-6-4-3-5-10(12)17-13(18)9-11-14(19)16-8-7-15-11/h3-6,11,15H,2,7-9H2,1H3,(H,16,19)(H,17,18)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CC2[CH]NCCN2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.981
- 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 · 4262451