Molecule card · MolClass #52110
4256709
4256709: 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
- 4256709Mitochondrial Fusion · compound_name
- MolClass ID
- 52110
- InChIKey
- FGANKVPJYTWBHR-UHFFFAOYSA-N
- Canonical SMILES
- C1CCCN(CC1)c4ncnc3c4(ncn3(Cc2c(cccc2Cl)Cl))
- Standard InChI
- InChI=1S/C18H19Cl2N5/c19-14-6-5-7-15(20)13(14)10-25-12-23-16-17(21-11-22-18(16)25)24-8-3-1-2-4-9-24/h5-7,11-12H,1-4,8-10H2
- Stored Murcko scaffold
- n1cnc(c2ncn(c12)Cc3ccccc3)N4CCCCCC4
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
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.289
- 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 · 4256709