Molecule card · MolClass #38494
17511487
17511487: 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
- 17511487Mitochondrial Fusion · compound_name
- MolClass ID
- 38494
- InChIKey
- APZKSDJWVXIYBG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc2nc(CSC(=N)N)c(n12)Br
- Standard InChI
- InChI=1S/C10H11BrN4S/c1-6-3-2-4-8-14-7(5-16-10(12)13)9(11)15(6)8/h2-4H,5H2,1H3,(H3,12,13)
- Stored Murcko scaffold
- n1ccn2ccccc12
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.191 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.989
- 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 · 17511487