Molecule card · MolClass #50124
22405778
22405778: 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
- 22405778Mitochondrial Fusion · compound_name
- MolClass ID
- 50124
- InChIKey
- YBBRQBNEGMHXRA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)C(c2ccccc2)N3Cc4ccccc4(C3(=N))
- Standard InChI
- InChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)22(26)21(17-7-3-2-4-8-17)25-15-19-9-5-6-10-20(19)23(25)24/h2-14,21,24H,15H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C(c2ccccc2)N3[CH]c4ccccc4C3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.839
- 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 · 22405778