Molecule card · MolClass #43635
7970081
7970081: 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
- 7970081Mitochondrial Fusion · compound_name
- MolClass ID
- 43635
- InChIKey
- ZUQDJPHLPAIIGT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCCn2ccc1ccccc12)C3CCCCC3
- Standard InChI
- InChI=1S/C17H22N2O/c20-17(15-7-2-1-3-8-15)18-11-13-19-12-10-14-6-4-5-9-16(14)19/h4-6,9-10,12,15H,1-3,7-8,11,13H2,(H,18,20)
- Stored Murcko scaffold
- c1ccc2c(c1)ccn2CCN[CH]C3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.892
- 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 · 7970081