Molecule card · MolClass #37209
24832584
24832584: 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
- 24832584Mitochondrial Fusion · compound_name
- MolClass ID
- 37209
- InChIKey
- VWPASCUQJAMPHO-UHFFFAOYSA-N
- Canonical SMILES
- CCCCSCc2nc1ccccn1c2Br
- Standard InChI
- InChI=1S/C12H15BrN2S/c1-2-3-8-16-9-10-12(13)15-7-5-4-6-11(15)14-10/h4-7H,2-3,8-9H2,1H3
- 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
- 1
- 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
- 42.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.839
- 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 · 24832584