Molecule card · MolClass #36694
24784908
24784908: 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
- 24784908Mitochondrial Fusion · compound_name
- MolClass ID
- 36694
- InChIKey
- YRFKHNNDIGRURH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN1CCN(CC1(CCO))Cc2ccc(C#CC(C)(C)O)s2
- Standard InChI
- InChI=1S/C21H32N2O2S/c1-17(2)8-11-23-13-12-22(15-18(23)9-14-24)16-20-6-5-19(26-20)7-10-21(3,4)25/h5-6,8,18,24-25H,9,11-16H2,1-4H3
- Stored Murcko scaffold
- s1cccc1CN2CCNCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.475
- 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 · 24784908