Molecule card · MolClass #49274
24814118
24814118: 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
- 24814118Mitochondrial Fusion · compound_name
- MolClass ID
- 49274
- InChIKey
- PFNJEHBNLBUBKE-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C1COC(=N1)c3cccn3(Cc2ccccc2Cl)
- Standard InChI
- InChI=1S/C17H19ClN2O/c1-12(2)15-11-21-17(19-15)16-8-5-9-20(16)10-13-6-3-4-7-14(13)18/h3-9,12,15H,10-11H2,1-2H3
- Stored Murcko scaffold
- N1=C(OCC1)c2cccn2Cc3ccccc3
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.
- 14731972#30534
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.799 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.583
- 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 · 24814118