Molecule card · MolClass #43182
4247795
4247795: 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
- 4247795Mitochondrial Fusion · compound_name
- MolClass ID
- 43182
- InChIKey
- OWSVNVZVWGZFTP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC2(CC1)(N=C(CC(N2)c3cc(ccc3(O))Cl)c4ccc5OCOc5(c4))
- Standard InChI
- InChI=1S/C24H28ClN3O3/c1-15(2)28-9-7-24(8-10-28)26-19(16-3-6-22-23(11-16)31-14-30-22)13-20(27-24)18-12-17(25)4-5-21(18)29/h3-6,11-12,15,20,27,29H,7-10,13-14H2,1-2H3
- Stored Murcko scaffold
- N1=C(c2ccc3OCOc3c2)CC(NC14CCNCC4)c5ccccc5
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 441.951 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.028
- 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 · 4247795