Molecule card · MolClass #39036
7976384
7976384: 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
- 7976384Mitochondrial Fusion · compound_name
- MolClass ID
- 39036
- InChIKey
- CCZFHUGYJFXSKK-UHFFFAOYSA-N
- Canonical SMILES
- C=CCC4(O)(C(=O)N1C(c2ccccc2(CC1(C)(C)))=C4(C(=O)N3CCOCC3))
- Standard InChI
- InChI=1S/C22H26N2O4/c1-4-9-22(27)17(19(25)23-10-12-28-13-11-23)18-16-8-6-5-7-15(16)14-21(2,3)24(18)20(22)26/h4-8,27H,1,9-14H2,2-3H3
- Stored Murcko scaffold
- O1CCN([CH]C2=C3c4ccccc4CCN3[CH]C2)CC1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.454 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.289
- 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 · 7976384