Molecule card · MolClass #43142
24798621
24798621: 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
- 24798621Mitochondrial Fusion · compound_name
- MolClass ID
- 43142
- InChIKey
- UGCGHCLEVHEWLA-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCN1CCN(CC1(CCO))Cc2c(C)nn(c2(C))c3ccc(F)cc3
- Standard InChI
- InChI=1S/C23H35FN4O/c1-17(2)9-11-27-13-12-26(15-22(27)10-14-29)16-23-18(3)25-28(19(23)4)21-7-5-20(24)6-8-21/h5-8,17,22,29H,9-16H2,1-4H3
- Stored Murcko scaffold
- n1cc(cn1-c2ccccc2)CN3CCNCC3
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.
- 24797877#43032
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.549 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.634
- 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 · 24798621