Molecule card · MolClass #42609
24780066
24780066: 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
- 24780066Mitochondrial Fusion · compound_name
- MolClass ID
- 42609
- InChIKey
- HGHGQMBBQMGJEY-UHFFFAOYSA-N
- Canonical SMILES
- OCCN(Cc1ccccc1)Cc3nc(CC2CC2)no3
- Standard InChI
- InChI=1S/C16H21N3O2/c20-9-8-19(11-14-4-2-1-3-5-14)12-16-17-15(18-21-16)10-13-6-7-13/h1-5,13,20H,6-12H2
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CNCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.189
- 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 · 24780066