Molecule card · MolClass #49207
24817975
24817975: 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
- 24817975Mitochondrial Fusion · compound_name
- MolClass ID
- 49207
- InChIKey
- OBMKABNHORJNQU-UHFFFAOYSA-N
- Canonical SMILES
- CSc2nc1ccccc1c(n2)N3CCN(CC3)c4ccccc4Cl
- Standard InChI
- InChI=1S/C19H19ClN4S/c1-25-19-21-16-8-4-2-6-14(16)18(22-19)24-12-10-23(11-13-24)17-9-5-3-7-15(17)20/h2-9H,10-13H2,1H3
- Stored Murcko scaffold
- n1cnc(c2ccccc12)N3CCN(c4ccccc4)CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.901 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.525
- 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 · 24817975