Molecule card · MolClass #46255
14720818
14720818: 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
- 14720818Mitochondrial Fusion · compound_name
- MolClass ID
- 46255
- InChIKey
- UPMBNNFXQFESIN-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOC(=O)CSc1nnc(O)nc1(O)
- Standard InChI
- InChI=1S/C9H13N3O4S/c1-2-3-4-16-6(13)5-17-8-7(14)10-9(15)12-11-8/h2-5H2,1H3,(H2,10,12,14,15)
- Stored Murcko scaffold
- n1nccnc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.162
- 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 · 14720818