Molecule card · MolClass #47296
24806143
24806143: 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
- 24806143Mitochondrial Fusion · compound_name
- MolClass ID
- 47296
- InChIKey
- SFTZVLUIESDDRA-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(CC(O)COCCC)c1nnc(n1(CC=C))S
- Standard InChI
- InChI=1S/C16H29N3O2S/c1-4-7-8-13(11-14(20)12-21-10-6-3)15-17-18-16(22)19(15)9-5-2/h5,13-14,20H,2,4,6-12H2,1,3H3,(H,18,22)
- Stored Murcko scaffold
- n1nc[nH]c1
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.
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
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.487 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.699
- 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 · 24806143