Molecule card · MolClass #36293
24798075
24798075: 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
- 24798075Mitochondrial Fusion · compound_name
- MolClass ID
- 36293
- InChIKey
- DZHTXULHUPVGFH-JTJYXVOQSA-N
- Canonical SMILES
- O=C5N(Cc1cccc(c1)Cl)CC4CC(c3cccn3(c2ccccn2))N6CCCC456
- Standard InChI
- InChI=1S/C25H25ClN4O/c26-20-7-3-6-18(14-20)16-28-17-19-15-22(30-13-5-10-25(19,30)24(28)31)21-8-4-12-29(21)23-9-1-2-11-27-23/h1-4,6-9,11-12,14,19,22H,5,10,13,15-17H2/t19-,22-,25-/m0/s1
- Stored Murcko scaffold
- n1ccccc1-n2cccc2C3N4CCCC54[CH]N(Cc6ccccc6)CC5C3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.946 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.141
- 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 · 24798075