Molecule card · MolClass #46440
24805611
24805611: 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
- 24805611Mitochondrial Fusion · compound_name
- MolClass ID
- 46440
- InChIKey
- FYBSRGAMRKRJQM-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(CNCCC2(Cc1ccccc1)(CC(C)N(C)CC2(C)))cc3(OC)
- Standard InChI
- InChI=1S/C26H38N2O2/c1-20-19-28(3)21(2)16-26(20,17-22-9-7-6-8-10-22)13-14-27-18-23-11-12-24(29-4)25(15-23)30-5/h6-12,15,20-21,27H,13-14,16-19H2,1-5H3
- Stored Murcko scaffold
- c1ccc(cc1)CNCCC2(Cc3ccccc3)CCNCC2
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
- 2
- 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
- 33.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.593 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.853
- 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 · 24805611