Molecule card · MolClass #49791
24782508
24782508: 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
- 24782508Mitochondrial Fusion · compound_name
- MolClass ID
- 49791
- InChIKey
- OVAKAUBQMKPERV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(cc(C)c1Cl)OCCCCn2ccnc2
- Standard InChI
- InChI=1S/C15H19ClN2O/c1-12-9-14(10-13(2)15(12)16)19-8-4-3-6-18-7-5-17-11-18/h5,7,9-11H,3-4,6,8H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)CCCCOc2ccccc2
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.
- 4259644#52065
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.778 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.783
- 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 · 24782508