Molecule card · MolClass #49431
24803762
24803762: 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
- 24803762Mitochondrial Fusion · compound_name
- MolClass ID
- 49431
- InChIKey
- HXGHHMVEEJLYLB-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(NC(NCC1CCCO1)=S)C34(CC2CC(CC(C2)C3)C4)
- Standard InChI
- InChI=1S/C20H34N2OS/c1-2-4-18(22-19(24)21-13-17-5-3-6-23-17)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-18H,2-13H2,1H3,(H2,21,22,24)
- Stored Murcko scaffold
- O1CCCC1CN[CH]NCC23CC4CC(CC(C4)C2)C3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.564 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.549
- 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 · 24803762