Molecule card · MolClass #36506
14727012
14727012: 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
- 14727012Mitochondrial Fusion · compound_name
- MolClass ID
- 36506
- InChIKey
- RQHKPFJXEPEIAI-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc2c(c1)C3=C(C(C)(C)N2(C))SSC3=S
- Standard InChI
- InChI=1S/C15H17NOS3/c1-5-17-9-6-7-11-10(8-9)12-13(19-20-14(12)18)15(2,3)16(11)4/h6-8H,5H2,1-4H3
- Stored Murcko scaffold
- S1SC2=C([CH]1)c3ccccc3NC2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.5 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.488
- 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 · 14727012