Molecule card · MolClass #51656
14734362
14734362: 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
- 14734362Mitochondrial Fusion · compound_name
- MolClass ID
- 51656
- InChIKey
- ROFVYYXZLKNDGD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(nc(n1)N2CCOCC2)Oc3ccc(cc3)C(C)(C)C
- Standard InChI
- InChI=1S/C19H25N3O2/c1-14-13-17(21-18(20-14)22-9-11-23-12-10-22)24-16-7-5-15(6-8-16)19(2,3)4/h5-8,13H,9-12H2,1-4H3
- Stored Murcko scaffold
- n1ccc(nc1N2CCOCC2)Oc3ccccc3
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
- 47.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.727
- 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 · 14734362