Molecule card · MolClass #41394
17513575
17513575: 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
- 17513575Mitochondrial Fusion · compound_name
- MolClass ID
- 41394
- InChIKey
- YLSVGZZXFDPHIK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc4cccc(NC2OC(=O)c1ccccc12)c4(n3)
- Standard InChI
- InChI=1S/C18H14N2O2/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17-13-6-2-3-7-14(13)18(21)22-17/h2-10,17,20H,1H3
- Stored Murcko scaffold
- n1cccc2cccc(NC3O[CH]c4ccccc43)c12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.762
- 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 · 17513575