Molecule card · MolClass #49559
24794521
24794521: 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
- 24794521Mitochondrial Fusion · compound_name
- MolClass ID
- 49559
- InChIKey
- NUSSXXRVDPANTG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccnc2(NC(NCCc1ccccc1)=S)
- Standard InChI
- InChI=1S/C15H17N3S/c1-12-6-5-10-16-14(12)18-15(19)17-11-9-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3,(H2,16,17,18,19)
- Stored Murcko scaffold
- n1ccccc1N[CH]NCCc2ccccc2
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
- 3
- 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
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.261
- 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 · 24794521