Molecule card · MolClass #52366
860928
860928: 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
- 860928Mitochondrial Fusion · compound_name
- MolClass ID
- 52366
- InChIKey
- BSIDWOSBIXXNBL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCN2N=C(c1ccccc1)c3ccccc3(C2(=O)))NCC4CCCO4
- Standard InChI
- InChI=1S/C22H23N3O3/c26-20(23-15-17-9-6-14-28-17)12-13-25-22(27)19-11-5-4-10-18(19)21(24-25)16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,26)
- Stored Murcko scaffold
- N1=C(c2ccccc2)c3ccccc3[CH]N1CC[CH]NCC4OCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.407
- 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 · 860928