Molecule card · MolClass #52292
863765
863765: 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
- 863765Mitochondrial Fusion · compound_name
- MolClass ID
- 52292
- InChIKey
- OYOPDPNOZYCMMQ-UHFFFAOYSA-N
- Canonical SMILES
- N=C3C=1CCCC=1N(Cc2ccc(cc2)Cl)C=4CCCC3=4
- Standard InChI
- InChI=1S/C18H19ClN2/c19-13-9-7-12(8-10-13)11-21-16-5-1-3-14(16)18(20)15-4-2-6-17(15)21/h7-10,20H,1-6,11H2
- Stored Murcko scaffold
- c1ccc(cc1)CN2C3=C([CH]C4=C2CCC4)CCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.81 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.925
- 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 · 863765