Molecule card · MolClass #50061
22408943
22408943: 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
- 22408943Mitochondrial Fusion · compound_name
- MolClass ID
- 50061
- InChIKey
- BGFMLJRYKZBRRQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)c2cc(C)n(c2(C))c3cccc(C)c3
- Standard InChI
- InChI=1S/C21H22N2O/c1-14-8-10-18(11-9-14)22-21(24)20-13-16(3)23(17(20)4)19-7-5-6-15(2)12-19/h5-13H,1-4H3,(H,22,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]c2ccn(c2)-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.924
- 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 · 22408943