Molecule card · MolClass #44929
7966050
7966050: 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
- 7966050Mitochondrial Fusion · compound_name
- MolClass ID
- 44929
- InChIKey
- GITMQZVLTGIEGJ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1N2CCN(CC2)CC(=O)c3ccc4ccn(C(C)=O)c4(c3)
- Standard InChI
- InChI=1S/C23H25N3O3/c1-17(27)26-10-9-18-7-8-19(15-21(18)26)22(28)16-24-11-13-25(14-12-24)20-5-3-4-6-23(20)29-2/h3-10,15H,11-14,16H2,1-2H3
- Stored Murcko scaffold
- [N]1C=Cc2ccc(cc12)[CH]CN3CCN(c4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.794
- 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 · 7966050