Molecule card · MolClass #51549
14738268
14738268: 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
- 14738268Mitochondrial Fusion · compound_name
- MolClass ID
- 51549
- InChIKey
- XHPCNZXFQWWFJX-UHFFFAOYSA-N
- Canonical SMILES
- CCCOc1ccc(cc1)c3nc2ccccc2c(n3)OCC
- Standard InChI
- InChI=1S/C19H20N2O2/c1-3-13-23-15-11-9-14(10-12-15)18-20-17-8-6-5-7-16(17)19(21-18)22-4-2/h5-12H,3-4,13H2,1-2H3
- Stored Murcko scaffold
- n1cc2ccccc2nc1-c3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.875
- 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 · 14738268