Molecule card · MolClass #41127
17409051
17409051: 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
- 17409051Mitochondrial Fusion · compound_name
- MolClass ID
- 41127
- InChIKey
- YPRUCGBHEMKYKZ-UHFFFAOYSA-N
- Canonical SMILES
- CC1CN(CC(C)O1)CN2C(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3
- Stored Murcko scaffold
- O1CCN(Cn2cc3ccccc3c2)CC1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.644
- 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 · 17409051