Molecule card · MolClass #37787
856063
856063: 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
- 856063Mitochondrial Fusion · compound_name
- MolClass ID
- 37787
- InChIKey
- MMBYOPSYOIRVGE-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)COn4c5CCc2nonc2c5(nc4(c3ccccc3))
- Standard InChI
- InChI=1S/C20H16N4O2/c1-3-7-14(8-4-1)13-25-24-17-12-11-16-18(23-26-22-16)19(17)21-20(24)15-9-5-2-6-10-15/h1-10H,11-13H2
- Stored Murcko scaffold
- n1onc2c1-c3nc(-c4ccccc4)n(OCc5ccccc5)c3CC2
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
- 1
- 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
- 65.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.313
- 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 · 856063