Molecule card · MolClass #35614
17403455
17403455: 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
- 17403455Mitochondrial Fusion · compound_name
- MolClass ID
- 35614
- InChIKey
- UPSDLOXUVBWLJL-UHFFFAOYSA-N
- Canonical SMILES
- CC2=Nc3c1cc4COC(C)(C)Cc4(nc1sc3(C(=O)O2))
- Standard InChI
- InChI=1S/C15H14N2O3S/c1-7-16-11-9-4-8-6-19-15(2,3)5-10(8)17-13(9)21-12(11)14(18)20-7/h4H,5-6H2,1-3H3
- Stored Murcko scaffold
- N1=CO[CH]c2sc3nc4c(cc3c12)COCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.372
- 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 · 17403455