Molecule card · MolClass #46577
844283
844283: 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
- 844283Mitochondrial Fusion · compound_name
- MolClass ID
- 46577
- InChIKey
- OJOUCZPKSSJXIU-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(cc1)Cl)N2CCCOC2
- Standard InChI
- InChI=1S/C11H12ClNO2/c12-10-4-2-9(3-5-10)11(14)13-6-1-7-15-8-13/h2-5H,1,6-8H2
- Stored Murcko scaffold
- O1CN([CH]c2ccccc2)CCC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.672 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.286
- 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 · 844283