Molecule card · MolClass #44872
4244952
4244952: 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
- 4244952Mitochondrial Fusion · compound_name
- MolClass ID
- 44872
- InChIKey
- UGZHOKRYRPLXOZ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOc1ccc(OCCCC)c2NC4(Nc12)(C(=O)N(C(C)=O)c3ccccc34)
- Standard InChI
- InChI=1S/C24H29N3O4/c1-4-6-14-30-19-12-13-20(31-15-7-5-2)22-21(19)25-24(26-22)17-10-8-9-11-18(17)27(16(3)28)23(24)29/h8-13,25-26H,4-7,14-15H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH]C2(Nc3ccccc3N2)c4ccccc14
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.506 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.023
- 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 · 4244952