Molecule card · MolClass #50595
17507781
17507781: 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
- 17507781Mitochondrial Fusion · compound_name
- MolClass ID
- 50595
- InChIKey
- LHPSJUQKLJEKHT-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)n2nnnc2C(c4nnnn4(c3ccccc3))(Cl)Cl
- Standard InChI
- InChI=1S/C15H10Cl2N8/c16-15(17,13-18-20-22-24(13)11-7-3-1-4-8-11)14-19-21-23-25(14)12-9-5-2-6-10-12/h1-10H
- Stored Murcko scaffold
- n1nc(n(n1)-c2ccccc2)Cc3nnnn3-c4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.2 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.334
- 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 · 17507781