Molecule card · MolClass #51354
14746742
14746742: 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
- 14746742Mitochondrial Fusion · compound_name
- MolClass ID
- 51354
- InChIKey
- YFNNNGYAMXXAPS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc1nc2cc(ccc2(o1))Cl)NCCc3ccccc3
- Standard InChI
- InChI=1S/C17H15ClN2O2S/c18-13-6-7-15-14(10-13)20-17(22-15)23-11-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,21)
- Stored Murcko scaffold
- n1c(oc2ccccc12)SC[CH]NCCc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.833 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.356
- 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 · 14746742