Molecule card · MolClass #44605
24799688
24799688: 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
- 24799688Mitochondrial Fusion · compound_name
- MolClass ID
- 44605
- InChIKey
- RZZQRGPIEWHTAW-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cc(cn1)CN3CCN(CCc2ccccc2)C(CCO)C3
- Standard InChI
- InChI=1S/C19H28N4O/c1-21-14-18(13-20-21)15-22-10-11-23(19(16-22)8-12-24)9-7-17-5-3-2-4-6-17/h2-6,13-14,19,24H,7-12,15-16H2,1H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCN(CCc3ccccc3)CC2
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.
- 24799503#31120
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
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.5
- 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 · 24799688