Molecule card · MolClass #49641
24789236
24789236: 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
- 24789236Mitochondrial Fusion · compound_name
- MolClass ID
- 49641
- InChIKey
- KRFFJZRJIICYEP-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)c3cn(C2CCCCC2)c(n3)S
- Standard InChI
- InChI=1S/C17H22N2S/c1-2-13-8-10-14(11-9-13)16-12-19(17(20)18-16)15-6-4-3-5-7-15/h8-12,15H,2-7H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1cn(cc1-c2ccccc2)C3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.647
- 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 · 24789236