Molecule card · MolClass #49279
24813202
24813202: 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
- 24813202Mitochondrial Fusion · compound_name
- MolClass ID
- 49279
- InChIKey
- FJISSFBOLFCTBN-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)c4nc(N1CCC(CC1)C(=O)NCCCN2CC(C)CC(C)C2)sc4(c3)
- Standard InChI
- InChI=1S/C25H38N4OS/c1-17-13-20(4)23-22(14-17)31-25(27-23)29-10-6-21(7-11-29)24(30)26-8-5-9-28-15-18(2)12-19(3)16-28/h13-14,18-19,21H,5-12,15-16H2,1-4H3,(H,26,30)
- Stored Murcko scaffold
- n1c2ccccc2sc1N3CCC([CH]NCCCN4CCCCC4)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
- 5
- 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
- 76.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 442.662 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.298
- 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 · 24813202