Molecule card · MolClass #48929
24834777
24834777: 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
- 24834777Mitochondrial Fusion · compound_name
- MolClass ID
- 48929
- InChIKey
- NZANNGPGAPLRRA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1)C2(CCCC2)N(C3CC3)C(=O)c4cc5ccccc5(o4)
- Standard InChI
- InChI=1S/C24H24N2O3/c27-22(21-16-17-8-4-5-11-20(17)29-21)26(19-12-13-19)24(14-6-7-15-24)23(28)25-18-9-2-1-3-10-18/h1-5,8-11,16,19H,6-7,12-15H2,(H,25,28)
- Stored Murcko scaffold
- o1c(cc2ccccc12)[CH]N(C3CC3)C4([CH]Nc5ccccc5)CCCC4
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.46 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.918
- 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 · 24834777