Molecule card · MolClass #49148
24820479
24820479: 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
- 24820479Mitochondrial Fusion · compound_name
- MolClass ID
- 49148
- InChIKey
- GSSBHFLULCGMNG-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCC1CCC(CC1)c2nnc(n2(C))S
- Standard InChI
- InChI=1S/C14H25N3S/c1-3-4-5-6-11-7-9-12(10-8-11)13-15-16-14(18)17(13)2/h11-12H,3-10H2,1-2H3,(H,16,18)
- Stored Murcko scaffold
- n1nc([nH]c1)C2CCCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.674
- 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 · 24820479