Molecule card · MolClass #38033
24797862
24797862: 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
- 24797862Mitochondrial Fusion · compound_name
- MolClass ID
- 38033
- InChIKey
- UAHVPWKJJQAKJM-UHFFFAOYSA-N
- Canonical SMILES
- CCn4cc(CN2CCN(Cc1ccc(C)o1)C(CCO)C2)c3ccccc34
- Standard InChI
- InChI=1S/C23H31N3O2/c1-3-25-15-19(22-6-4-5-7-23(22)25)14-24-11-12-26(20(16-24)10-13-27)17-21-9-8-18(2)28-21/h4-9,15,20,27H,3,10-14,16-17H2,1-2H3
- Stored Murcko scaffold
- o1cccc1CN2CCN(Cc3c[nH]c4ccccc43)CC2
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.
- 24800444#37768
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.512 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.58
- 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 · 24797862