Molecule card · MolClass #38702
14741943
14741943: 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
- 14741943Mitochondrial Fusion · compound_name
- MolClass ID
- 38702
- InChIKey
- OXGNYIJRSSBHJT-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3ccc(cc3(c1nc(O)c2c(n1)c(nn2(C))C(C)(C)C))S(=O)(=O)N(CCO)CCO
- Standard InChI
- InChI=1S/C22H31N5O6S/c1-6-33-16-8-7-14(34(31,32)27(9-11-28)10-12-29)13-15(16)20-23-17-18(21(30)24-20)26(5)25-19(17)22(2,3)4/h7-8,13,28-29H,6,9-12H2,1-5H3,(H,23,24,30)
- Stored Murcko scaffold
- n1cc2nc(ncc2[nH]1)-c3ccccc3
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 159.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 493.578 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.036
- 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 · 14741943