Molecule card · MolClass #40904
7975084
7975084: 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
- 7975084Mitochondrial Fusion · compound_name
- MolClass ID
- 40904
- InChIKey
- IEHYVYZADVHGFF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(N)sc1c2(ccc(c1(OC))Br)
- Standard InChI
- InChI=1S/C12H12BrNO3S/c1-3-17-12(15)8-6-4-5-7(13)9(16-2)10(6)18-11(8)14/h4-5H,3,14H2,1-2H3
- Stored Murcko scaffold
- s1ccc2ccccc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.199 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.391
- 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 · 7975084