Molecule card · MolClass #36927
24798876
24798876: 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
- 24798876Mitochondrial Fusion · compound_name
- MolClass ID
- 36927
- InChIKey
- FQWMFLSBHOZDAB-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN2CCNC(=O)C2(CC(=O)NCc1nc(C)c(C)s1)
- Standard InChI
- InChI=1S/C17H26N4O2S/c1-11(2)5-7-21-8-6-18-17(23)14(21)9-15(22)19-10-16-20-12(3)13(4)24-16/h5,14H,6-10H2,1-4H3,(H,18,23)(H,19,22)
- Stored Murcko scaffold
- n1ccsc1CN[CH]CC2[CH]NCCN2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.025
- 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 · 24798876