Molecule card · MolClass #43765
14746665
14746665: 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
- 14746665Mitochondrial Fusion · compound_name
- MolClass ID
- 43765
- InChIKey
- QLSNNWADLFXIGD-UHFFFAOYSA-N
- Canonical SMILES
- CCCc1cc(O)nc(n1)SCC(=O)c2cc(C)n(CCC)c2(C)
- Standard InChI
- InChI=1S/C18H25N3O2S/c1-5-7-14-10-17(23)20-18(19-14)24-11-16(22)15-9-12(3)21(8-6-2)13(15)4/h9-10H,5-8,11H2,1-4H3,(H,19,20,23)
- Stored Murcko scaffold
- n1cccnc1SC[CH]c2cc[nH]c2
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.
- 3717464#40046
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.477 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.387
- 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 · 14746665