Molecule card · MolClass #47573
14743253
14743253: 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
- 14743253Mitochondrial Fusion · compound_name
- MolClass ID
- 47573
- InChIKey
- IMVHBRRZRKPRIQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)n3cnc2cc(ccc23)NCc4cccs4
- Standard InChI
- InChI=1S/C18H15N3S/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2
- Stored Murcko scaffold
- n1cn(-c2ccccc2)c3ccc(cc13)NCc4sccc4
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.
- 14735827#29222
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.605
- 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 · 14743253