Molecule card · MolClass #51899
14722507
14722507: 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
- 14722507Mitochondrial Fusion · compound_name
- MolClass ID
- 51899
- InChIKey
- ZIEDAKIIJRZKNM-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N2C1OC(OC1N(C(C)C)S2(=O)(=O))C3OC4C(O3)N(C(C)C)S(=O)(=O)N4(C(C)C)
- Standard InChI
- InChI=1S/C18H34N4O8S2/c1-9(2)19-13-14(20(10(3)4)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12(7)8)32(25,26)21(15)11(5)6/h9-18H,1-8H3
- Stored Murcko scaffold
- O1C(OC2NSNC12)C3OC4NSNC4O3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 12
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 134.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 498.617 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.214
- 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 · 14722507