Molecule card · MolClass #49574
24794242
24794242: 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
- 24794242Mitochondrial Fusion · compound_name
- MolClass ID
- 49574
- InChIKey
- DCMQGMUVRWPDQQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(NC2CCCC2)=S
- Standard InChI
- InChI=1S/C12H17N3S/c1-9-5-4-8-11(13-9)15-12(16)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,13,14,15,16)
- Stored Murcko scaffold
- n1ccccc1N[CH]NC2CCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.741
- 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 · 24794242