Molecule card · MolClass #49706
24785515
24785515: 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
- 24785515Mitochondrial Fusion · compound_name
- MolClass ID
- 49706
- InChIKey
- GZFRGEOABRTEFM-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3c(C)n(c1ccc(C)cc1)c2ccc(cc23)OCC(O)CN4CCN(C)CC4
- Standard InChI
- InChI=1S/C27H35N3O4/c1-5-33-27(32)26-20(3)30(21-8-6-19(2)7-9-21)25-11-10-23(16-24(25)26)34-18-22(31)17-29-14-12-28(4)13-15-29/h6-11,16,22,31H,5,12-15,17-18H2,1-4H3
- Stored Murcko scaffold
- O(c1ccc2c(ccn2-c3ccccc3)c1)CCCN4CCNCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 465.586 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.734
- 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 · 24785515