Molecule card · MolClass #45804
24799812
24799812: 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
- 24799812Mitochondrial Fusion · compound_name
- MolClass ID
- 45804
- InChIKey
- IRPICWLFKBEIOA-UHFFFAOYSA-N
- Canonical SMILES
- OC1CCCN(C1)Cc3nc(Cc2ccccc2Cl)no3
- Standard InChI
- InChI=1S/C15H18ClN3O2/c16-13-6-2-1-4-11(13)8-14-17-15(21-18-14)10-19-7-3-5-12(20)9-19/h1-2,4,6,12,20H,3,5,7-10H2
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CN3CCCCC3
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
- 3
- 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
- 62.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.776 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.183
- 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 · 24799812