Molecule card · MolClass #37262
7974413
7974413: 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
- 7974413Mitochondrial Fusion · compound_name
- MolClass ID
- 37262
- InChIKey
- FGSATLXWKQXRKL-UHFFFAOYSA-N
- Canonical SMILES
- CCOCCOC(=O)C(C)Sc1nnc(O)nc1(O)
- Standard InChI
- InChI=1S/C10H15N3O5S/c1-3-17-4-5-18-9(15)6(2)19-8-7(14)11-10(16)13-12-8/h6H,3-5H2,1-2H3,(H2,11,13,14,16)
- 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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 139.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.338
- 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 · 7974413