Molecule card · MolClass #52231
3717634
3717634: 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
- 3717634Mitochondrial Fusion · compound_name
- MolClass ID
- 52231
- InChIKey
- CJDWLSPYPPAPQZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1cc2ccccc2(o1))N3CCN(CC3)c4ccccc4Cl
- Standard InChI
- InChI=1S/C19H17ClN2O2/c20-15-6-2-3-7-16(15)21-9-11-22(12-10-21)19(23)18-13-14-5-1-4-8-17(14)24-18/h1-8,13H,9-12H2
- Stored Murcko scaffold
- o1c(cc2ccccc12)[CH]N3CCN(c4ccccc4)CC3
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
- 3
- 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
- 36.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.804 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.178
- 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 · 3717634