Molecule card · MolClass #49479
24797250
24797250: 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
- 24797250Mitochondrial Fusion · compound_name
- MolClass ID
- 49479
- InChIKey
- QYTCOYRDRMPWPU-UHFFFAOYSA-N
- Canonical SMILES
- CCn2c4ccccc4(c1cc(ccc12)CNCc3ccc(cc3(OC))OC)
- Standard InChI
- InChI=1S/C24H26N2O2/c1-4-26-22-8-6-5-7-20(22)21-13-17(9-12-23(21)26)15-25-16-18-10-11-19(27-2)14-24(18)28-3/h5-14,25H,4,15-16H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)CNCc2ccc3[nH]c4ccccc4c3c2
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
- 1
- 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
- 35.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.31
- 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 · 24797250