Molecule card · MolClass #41393
24817565
24817565: 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
- 24817565Mitochondrial Fusion · compound_name
- MolClass ID
- 41393
- InChIKey
- LMBROFMDQOXBNM-UHFFFAOYSA-N
- Canonical SMILES
- OC1CON(C1)C(=O)CN2CCN(CC2)c3cccc(n3)Cl
- Standard InChI
- InChI=1S/C14H19ClN4O3/c15-12-2-1-3-13(16-12)18-6-4-17(5-7-18)9-14(21)19-8-11(20)10-22-19/h1-3,11,20H,4-10H2
- Stored Murcko scaffold
- n1ccccc1N2CCN(C[CH]N3OCCC3)CC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.779 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.522
- 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 · 24817565