Molecule card · MolClass #45521
7975529
7975529: 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
- 7975529Mitochondrial Fusion · compound_name
- MolClass ID
- 45521
- InChIKey
- ZNWOMYOAOGOZGQ-MDWZMJQESA-N
- Canonical SMILES
- Cc4ccc(C=C2C(=O)n1c(nnc1S2)c3ccccc3Cl)o4
- Standard InChI
- InChI=1S/C16H10ClN3O2S/c1-9-6-7-10(22-9)8-13-15(21)20-14(18-19-16(20)23-13)11-4-2-3-5-12(11)17/h2-8H,1H3/b13-8+
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3[CH]C(Sc13)=Cc4occc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.789 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.058
- 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 · 7975529