Molecule card · MolClass #37648
14736089
14736089: 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
- 14736089Mitochondrial Fusion · compound_name
- MolClass ID
- 37648
- InChIKey
- LABYLHDKTXLLHI-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)cccc4(COn3nnc2ccccc23)
- Standard InChI
- InChI=1S/C17H13N3O/c1-2-9-15-13(6-1)7-5-8-14(15)12-21-20-17-11-4-3-10-16(17)18-19-20/h1-11H,12H2
- Stored Murcko scaffold
- n1nn(OCc2cccc3ccccc32)c4ccccc14
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.085
- 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 · 14736089