Molecule card · MolClass #49510
24795673
24795673: 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
- 24795673Mitochondrial Fusion · compound_name
- MolClass ID
- 49510
- InChIKey
- HDQNADUBSRAMAH-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(NC2CCCCC2)=S
- Standard InChI
- InChI=1S/C13H19N3S/c1-10-6-5-9-12(14-10)16-13(17)15-11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,14,15,16,17)
- Stored Murcko scaffold
- n1ccccc1N[CH]NC2CCCCC2
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
- 249.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.31
- 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 · 24795673