Molecule card · MolClass #51695
14730661
14730661: 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
- 14730661Mitochondrial Fusion · compound_name
- MolClass ID
- 51695
- InChIKey
- UECTZSYOVQPFOX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN1CCN(CC1)c2ccccc2)Nc3ccc(cc3)Oc4ccccc4
- Standard InChI
- InChI=1S/C24H25N3O2/c28-24(19-26-15-17-27(18-16-26)21-7-3-1-4-8-21)25-20-11-13-23(14-12-20)29-22-9-5-2-6-10-22/h1-14H,15-19H2,(H,25,28)
- Stored Murcko scaffold
- O(c1ccccc1)c2ccc(cc2)N[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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 387.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.213
- 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 · 14730661