Molecule card · MolClass #45507
24807159
24807159: 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
- 24807159Mitochondrial Fusion · compound_name
- MolClass ID
- 45507
- InChIKey
- YMMCAWZUKOBVRL-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(CC(O)COCC(C)C)c1nnc(n1(CC=C))S
- Standard InChI
- InChI=1S/C17H31N3O2S/c1-5-7-8-14(10-15(21)12-22-11-13(3)4)16-18-19-17(23)20(16)9-6-2/h6,13-15,21H,2,5,7-12H2,1,3-4H3,(H,19,23)
- 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
- 341.514 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.996
- 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 · 24807159