Molecule card · MolClass #49771
24783163
24783163: 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
- 24783163Mitochondrial Fusion · compound_name
- MolClass ID
- 49771
- InChIKey
- WIOXTSFLNUUGEO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3c(C)n(c1ccc(C)cc1)c2ccc(cc23)OCC(O)CNCC4CCCO4
- Standard InChI
- InChI=1S/C27H34N2O5/c1-4-32-27(31)26-19(3)29(20-9-7-18(2)8-10-20)25-12-11-22(14-24(25)26)34-17-21(30)15-28-16-23-6-5-13-33-23/h7-12,14,21,23,28,30H,4-6,13,15-17H2,1-3H3
- Stored Murcko scaffold
- O(c1ccc2c(ccn2-c3ccccc3)c1)CCCNCC4OCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 466.57 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.205
- 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 · 24783163