Molecule card · MolClass #42606
14732587
14732587: 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
- 14732587Mitochondrial Fusion · compound_name
- MolClass ID
- 42606
- InChIKey
- ZKZPJIWKNJVDMY-UHFFFAOYSA-N
- Canonical SMILES
- CCCN(CCC)Cc2cc1ccccc1c3COCc23
- Standard InChI
- InChI=1S/C19H25NO/c1-3-9-20(10-4-2)12-16-11-15-7-5-6-8-17(15)19-14-21-13-18(16)19/h5-8,11H,3-4,9-10,12-14H2,1-2H3
- Stored Murcko scaffold
- O1Cc2ccc3ccccc3c2C1
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.
- 26661799#29239
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 12.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.409 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.997
- 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 · 14732587