Molecule card · MolClass #45823
4263657
4263657: 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
- 4263657Mitochondrial Fusion · compound_name
- MolClass ID
- 45823
- InChIKey
- QTYUSVDINJAGQZ-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCC(CC1)N2CC3CC(C2)C4=CC=CC(=O)N4(C3)
- Standard InChI
- InChI=1S/C17H25N3O/c1-18-7-5-15(6-8-18)19-10-13-9-14(12-19)16-3-2-4-17(21)20(16)11-13/h2-4,13-15H,5-12H2,1H3
- Stored Murcko scaffold
- C1=C[CH]N2C(=C1)C3CN(CC(C2)C3)C4CCNCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.384
- 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 · 4263657