Molecule card · MolClass #49830
24780123
24780123: 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
- 24780123Mitochondrial Fusion · compound_name
- MolClass ID
- 49830
- InChIKey
- HUZQBXSOUPNPEM-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCN2c3ccccc3(C(=N)C=1CCCC=12)
- Standard InChI
- InChI=1S/C19H26N2/c1-2-3-4-5-8-14-21-17-12-7-6-10-15(17)19(20)16-11-9-13-18(16)21/h6-7,10,12,20H,2-5,8-9,11,13-14H2,1H3
- Stored Murcko scaffold
- c1ccc2NC3=C([CH]c2c1)CCC3
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.
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.424 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.781
- 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 · 24780123