Molecule card · MolClass #38167
3716447
3716447: 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
- 3716447Mitochondrial Fusion · compound_name
- MolClass ID
- 38167
- InChIKey
- MHKFSUVKILPXAD-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2c(c1)nnn2c5ncnc4c5(c3CCCCc3s4)
- Standard InChI
- InChI=1S/C16H13N5S/c1-4-8-13-10(5-1)14-15(17-9-18-16(14)22-13)21-12-7-3-2-6-11(12)19-20-21/h2-3,6-7,9H,1,4-5,8H2
- Stored Murcko scaffold
- n1nn(-c2ncnc3sc4c(c32)CCCC4)c5ccccc15
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.
- 14745263#45151
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
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.474
- 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 · 3716447