Molecule card · MolClass #49545
24794234
24794234: 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
- 24794234Mitochondrial Fusion · compound_name
- MolClass ID
- 49545
- InChIKey
- HTZQTFJZCQZKBO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(c2ccccc2(n1))N3CCN(CC3)c4nc(cs4)c5ccccc5
- Standard InChI
- InChI=1S/C23H22N4S/c1-17-15-22(19-9-5-6-10-20(19)24-17)26-11-13-27(14-12-26)23-25-21(16-28-23)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
- Stored Murcko scaffold
- n1ccc(c2ccccc12)N3CCN(c4nc(cs4)-c5ccccc5)CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.515 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.536
- 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 · 24794234