Molecule card · MolClass #48720
4260585
4260585: 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
- 4260585Mitochondrial Fusion · compound_name
- MolClass ID
- 48720
- InChIKey
- WFECOQFZFNUSCB-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)CC(=O)n3c4ccccc4(c2CC(C)CCc23)
- Standard InChI
- InChI=1S/C21H29N3O/c1-3-22-10-12-23(13-11-22)15-21(25)24-19-7-5-4-6-17(19)18-14-16(2)8-9-20(18)24/h4-7,16H,3,8-15H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)c3c(n2[CH]CN4CCNCC4)CCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.715
- 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 · 4260585