Molecule card · MolClass #39209
24785239
24785239: 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
- 24785239Mitochondrial Fusion · compound_name
- MolClass ID
- 39209
- InChIKey
- RSXWFIYARZHYGX-UHFFFAOYSA-N
- Canonical SMILES
- Fc4ccccc4(OCC1CCCN(C1)Cc3nc(CC2CC2)no3)
- Standard InChI
- InChI=1S/C19H24FN3O2/c20-16-5-1-2-6-17(16)24-13-15-4-3-9-23(11-15)12-19-21-18(22-25-19)10-14-7-8-14/h1-2,5-6,14-15H,3-4,7-13H2
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CN3CCCC(COc4ccccc4)C3
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.
- 24799451#41755
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.412 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.814
- 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 · 24785239