Molecule card · MolClass #42971
24823262
24823262: 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
- 24823262Mitochondrial Fusion · compound_name
- MolClass ID
- 42971
- InChIKey
- UYNNAPXGNNTKLS-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc(NC2c3ncccc3(C(=O)N2(Cc1ccco1)))c(C)c4
- Standard InChI
- InChI=1S/C20H19N3O2/c1-13-7-8-17(14(2)11-13)22-19-18-16(6-3-9-21-18)20(24)23(19)12-15-5-4-10-25-15/h3-11,19,22H,12H2,1-2H3
- Stored Murcko scaffold
- n1cccc2[CH]N(Cc3occc3)C(Nc4ccccc4)c12
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.862
- 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 · 24823262