Molecule card · MolClass #51876
14724246
14724246: 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
- 14724246Mitochondrial Fusion · compound_name
- MolClass ID
- 51876
- InChIKey
- MXJSDZMZXFRRCO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)OCc3nnc(n3(C2CCCCC2))S
- Standard InChI
- InChI=1S/C16H21N3OS/c1-12-7-9-14(10-8-12)20-11-15-17-18-16(21)19(15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)
- Stored Murcko scaffold
- n1nc(n(c1)C2CCCCC2)COc3ccccc3
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
- 2
- 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
- 78.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.641
- 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 · 14724246