Molecule card · MolClass #50853
17415486
17415486: 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
- 17415486Mitochondrial Fusion · compound_name
- MolClass ID
- 50853
- InChIKey
- WFYGWJXIPUGUJF-UHFFFAOYSA-N
- Canonical SMILES
- N=C(NOC(=O)C23(CC1CC(CC(C1)C2)C3))c4ccccc4
- Standard InChI
- InChI=1S/C18H22N2O2/c19-16(15-4-2-1-3-5-15)20-22-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H2,19,20)
- Stored Murcko scaffold
- O([CH]C12CC3CC(CC(C3)C1)C2)N[CH]c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.186
- 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 · 17415486