Molecule card · MolClass #47038
14730611
14730611: 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
- 14730611Mitochondrial Fusion · compound_name
- MolClass ID
- 47038
- InChIKey
- LQYREYJOGBDEBY-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)C(c1ccc(cc1)Cl)c2ccc(nn2)Sc3ccccc3
- Standard InChI
- InChI=1S/C18H14ClN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23)
- Stored Murcko scaffold
- n1nc(ccc1Sc2ccccc2)Cc3ccccc3
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.
- 14730610#48760
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.843 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.301
- 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 · 14730611