Molecule card · MolClass #50467
17513654
17513654: 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
- 17513654Mitochondrial Fusion · compound_name
- MolClass ID
- 50467
- InChIKey
- QWQKOQFUSUKFQR-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)c3cccc(COc1ccc2CCCc2(c1))c3
- Standard InChI
- InChI=1S/C17H18N2O2/c18-19-17(20)15-6-1-3-12(9-15)11-21-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5,11,18H2,(H,19,20)
- Stored Murcko scaffold
- O(c1ccc2c(c1)CCC2)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.947
- 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 · 17513654