Molecule card · MolClass #49663
24790619
24790619: 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
- 24790619Mitochondrial Fusion · compound_name
- MolClass ID
- 49663
- InChIKey
- ZVHYMGOHRJWSMZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(Nc1ccccc1N2CCCCC2)=S)c3ccccc3
- Standard InChI
- InChI=1S/C19H21N3OS/c23-18(15-9-3-1-4-10-15)21-19(24)20-16-11-5-6-12-17(16)22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-14H2,(H2,20,21,23,24)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N[CH]Nc2ccccc2N3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.638
- 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 · 24790619