Molecule card · MolClass #52148
4249736
4249736: 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
- 4249736Mitochondrial Fusion · compound_name
- MolClass ID
- 52148
- InChIKey
- FTWYTJPFSFTVCV-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(Nc1cc2ccccc2(c(O)n1))
- Standard InChI
- InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)
- Stored Murcko scaffold
- n1cc2ccccc2cc1Nc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.524
- 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 · 4249736