Molecule card · MolClass #45302
860327
860327: 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
- 860327Mitochondrial Fusion · compound_name
- MolClass ID
- 45302
- InChIKey
- OCHRYOCOJQPCER-UHFFFAOYSA-N
- Canonical SMILES
- O=C4N(Cc1ccccc1)c2cc(cnc2N4(Cc3ccccc3))Cl
- Standard InChI
- InChI=1S/C20H16ClN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
- Stored Murcko scaffold
- n1cccc2c1N([CH]N2Cc3ccccc3)Cc4ccccc4
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
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.814 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.262
- 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 · 860327