Molecule card · MolClass #46645
24798950
24798950: 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
- 24798950Mitochondrial Fusion · compound_name
- MolClass ID
- 46645
- InChIKey
- LAJIJUOIBRLOMO-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccccc1))Cc4cnc(c3ccccc3)s4
- Standard InChI
- InChI=1S/C23H27N3OS/c27-14-11-21-17-25(12-13-26(21)16-19-7-3-1-4-8-19)18-22-15-24-23(28-22)20-9-5-2-6-10-20/h1-10,15,21,27H,11-14,16-18H2
- Stored Murcko scaffold
- n1cc(sc1-c2ccccc2)CN3CCN(Cc4ccccc4)CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.547 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.582
- 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 · 24798950