Molecule card · MolClass #43680
14729413
14729413: 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
- 14729413Mitochondrial Fusion · compound_name
- MolClass ID
- 43680
- InChIKey
- OICMGNHGKFDEQY-UHFFFAOYSA-N
- Canonical SMILES
- O=C4Oc1cc(ccc1N4(CSc3nc2ccccc2s3))Cl
- Standard InChI
- InChI=1S/C15H9ClN2O2S2/c16-9-5-6-11-12(7-9)20-15(19)18(11)8-21-14-17-10-3-1-2-4-13(10)22-14/h1-7H,8H2
- Stored Murcko scaffold
- n1c(sc2ccccc12)SCN3[CH]Oc4ccccc43
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.
No other molecules currently have this stored scaffold.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.83 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.428
- 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 · 14729413