Molecule card · MolClass #51916
14721308
14721308: 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
- 14721308Mitochondrial Fusion · compound_name
- MolClass ID
- 51916
- InChIKey
- BXPZTXRUOVIUGB-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3c(C)n(Cc1ccccc1)c2ccc(cc23)OCC(O)Cn4nc(C)cc4(C)
- Standard InChI
- InChI=1S/C27H31N3O4/c1-5-33-27(32)26-20(4)29(15-21-9-7-6-8-10-21)25-12-11-23(14-24(25)26)34-17-22(31)16-30-19(3)13-18(2)28-30/h6-14,22,31H,5,15-17H2,1-4H3
- Stored Murcko scaffold
- n1cccn1CCCOc2ccc3c(ccn3Cc4ccccc4)c2
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
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 461.554 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.749
- 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 · 14721308