Molecule card · MolClass #48871
14729818
14729818: 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
- 14729818Mitochondrial Fusion · compound_name
- MolClass ID
- 48871
- InChIKey
- YTRPWVZGQUCPKT-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C=2COc3ccccc3(N=2)
- Standard InChI
- InChI=1S/C14H11NO/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9H,10H2
- Stored Murcko scaffold
- N=1c2ccccc2OCC1c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 209.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.934
- 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 · 14729818