Molecule card · MolClass #51555
14736531
14736531: 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
- 14736531Mitochondrial Fusion · compound_name
- MolClass ID
- 51555
- InChIKey
- OHJIYUOPHYVHOO-UHFFFAOYSA-N
- Canonical SMILES
- C(CCn2cnc1ccccc12)COc3ccc4CCCc4(c3)
- Standard InChI
- InChI=1S/C20H22N2O/c1-2-9-20-19(8-1)21-15-22(20)12-3-4-13-23-18-11-10-16-6-5-7-17(16)14-18/h1-2,8-11,14-15H,3-7,12-13H2
- Stored Murcko scaffold
- n1cn(c2ccccc12)CCCCOc3ccc4c(c3)CCC4
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
- 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
- 306.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.957
- 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 · 14736531