Molecule card · MolClass #49265
24825634
24825634: 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
- 24825634Mitochondrial Fusion · compound_name
- MolClass ID
- 49265
- InChIKey
- KCWKDKHYBMLQDC-UHFFFAOYSA-N
- Canonical SMILES
- CCCCNC(N1CCN(CC1)c2ccccc2Cl)=S
- Standard InChI
- InChI=1S/C15H22ClN3S/c1-2-3-8-17-15(20)19-11-9-18(10-12-19)14-7-5-4-6-13(14)16/h4-7H,2-3,8-12H2,1H3,(H,17,20)
- Stored Murcko scaffold
- [N]1CCN(c2ccccc2)CC1
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.
- 129401-88-3#3785
- 2214825#10405
- 17414593#50930
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 50.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.875 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.711
- 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 · 24825634