Molecule card · MolClass #49957
22411184
22411184: 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
- 22411184Mitochondrial Fusion · compound_name
- MolClass ID
- 49957
- InChIKey
- RBONDYNPJMCCMG-LICLKQGHSA-N
- Canonical SMILES
- CCCCNC(NN=CC1=CCC2CC1C2(C)(C))=S
- Standard InChI
- InChI=1S/C15H25N3S/c1-4-5-8-16-14(19)18-17-10-11-6-7-12-9-13(11)15(12,2)3/h6,10,12-13H,4-5,7-9H2,1-3H3,(H2,16,18,19)/b17-10+
- Stored Murcko scaffold
- C1=CC2CC(C1)C2
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.
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.233
- 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 · 22411184