Molecule card · MolClass #42502
24830045
24830045: 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
- 24830045Mitochondrial Fusion · compound_name
- MolClass ID
- 42502
- InChIKey
- LASLFPLEELDAOL-UHFFFAOYSA-N
- Canonical SMILES
- O=C4C=C(CN2CCCc1ccccc12)N=C3N4(C=CS3)
- Standard InChI
- InChI=1S/C16H15N3OS/c20-15-10-13(17-16-19(15)8-9-21-16)11-18-7-3-5-12-4-1-2-6-14(12)18/h1-2,4,6,8-10H,3,5,7,11H2
- Stored Murcko scaffold
- N1=C2SC=CN2[CH]C=C1CN3c4ccccc4CCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.462
- 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 · 24830045