Molecule card · MolClass #36645
24783837
24783837: 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
- 24783837Mitochondrial Fusion · compound_name
- MolClass ID
- 36645
- InChIKey
- JPVPWMCTCGVGKK-WYRQLCSISA-N
- Canonical SMILES
- O=C5N(Cc1cccc(c1)Cl)CC4CC(c3cccc2ncccc23)N6CCCC456
- Standard InChI
- InChI=1S/C25H24ClN3O/c26-19-6-1-5-17(13-19)15-28-16-18-14-23(29-12-4-10-25(18,29)24(28)30)21-7-2-9-22-20(21)8-3-11-27-22/h1-3,5-9,11,13,18,23H,4,10,12,14-16H2/t18-,23-,25-/m0/s1
- Stored Murcko scaffold
- n1cccc2c1cccc2C3N4CCCC54[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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.931 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.091
- 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 · 24783837