Molecule card · MolClass #39890
860601
860601: 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
- 860601Mitochondrial Fusion · compound_name
- MolClass ID
- 39890
- InChIKey
- ZEOWMDRKGZFJLV-UHFFFAOYSA-N
- Canonical SMILES
- N#CCc2nc3c4c1CCCCc1sc4(ncn3(n2))
- Standard InChI
- InChI=1S/C13H11N5S/c14-6-5-10-16-12-11-8-3-1-2-4-9(8)19-13(11)15-7-18(12)17-10/h7H,1-5H2
- Stored Murcko scaffold
- n1cnn2cnc3sc4c(c3c12)CCCC4
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
- 95.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.013
- 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 · 860601