Molecule card · MolClass #36076
14745053
14745053: 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
- 14745053Mitochondrial Fusion · compound_name
- MolClass ID
- 36076
- InChIKey
- RHYYCQIWPPQUBO-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CSC2=NCN(CN12)c3ccccc3
- Standard InChI
- InChI=1S/C11H11N3OS/c15-10-6-16-11-12-7-13(8-14(10)11)9-4-2-1-3-5-9/h1-5H,6-8H2
- Stored Murcko scaffold
- N1=C2SC[CH]N2CN(c3ccccc3)C1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.848
- 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 · 14745053