Molecule card · MolClass #37318
7964727
7964727: 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
- 7964727Mitochondrial Fusion · compound_name
- MolClass ID
- 37318
- InChIKey
- ZKYUVZCRDBYNON-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)N3c2ncnc(c2SC3=S)N4CCOCC4
- Standard InChI
- InChI=1S/C15H14N4OS2/c21-15-19(11-4-2-1-3-5-11)14-12(22-15)13(16-10-17-14)18-6-8-20-9-7-18/h1-5,10H,6-9H2
- Stored Murcko scaffold
- n1cnc(c2S[CH]N(c12)c3ccccc3)N4CCOCC4
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.
- 14731734#40680
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 98.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.077
- 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 · 7964727