Molecule card · MolClass #51915
14721129
14721129: 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
- 14721129Mitochondrial Fusion · compound_name
- MolClass ID
- 51915
- InChIKey
- LUURBQJWILSPPZ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c4ncnc1c4(c(cs1)C2COc3ccccc3(O2))
- Standard InChI
- InChI=1S/C18H19N3O2S/c1-3-21(4-2)17-16-12(10-24-18(16)20-11-19-17)15-9-22-13-7-5-6-8-14(13)23-15/h5-8,10-11,15H,3-4,9H2,1-2H3
- Stored Murcko scaffold
- n1cnc2scc(c2c1)C3Oc4ccccc4OC3
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.
- 4259138#26759
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.496
- 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 · 14721129