Molecule card · MolClass #35856
24785430
24785430: 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
- 24785430Mitochondrial Fusion · compound_name
- MolClass ID
- 35856
- InChIKey
- YTRUPNWYOFOMHU-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCN(CC1(CCO))Cc2cccn2c3nccs3
- Standard InChI
- InChI=1S/C17H26N4OS/c1-14(2)20-9-8-19(13-16(20)5-10-22)12-15-4-3-7-21(15)17-18-6-11-23-17/h3-4,6-7,11,14,16,22H,5,8-10,12-13H2,1-2H3
- Stored Murcko scaffold
- n1ccsc1-n2cccc2CN3CCNCC3
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.
- 24799684#30245
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.234
- 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 · 24785430