Molecule card · MolClass #41293
847215
847215: 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
- 847215Mitochondrial Fusion · compound_name
- MolClass ID
- 41293
- InChIKey
- YBGABCRYBJTANW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCC(C)(C)C2OCCN2(C(=O)Nc1ccccc1)
- Standard InChI
- InChI=1S/C18H26N2O2/c1-14(2)10-11-18(3,4)16-20(12-13-22-16)17(21)19-15-8-6-5-7-9-15/h5-10,16H,11-13H2,1-4H3,(H,19,21)
- Stored Murcko scaffold
- O1CN([CH]Nc2ccccc2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.412 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.663
- 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 · 847215