Molecule card · MolClass #39996
24831062
24831062: 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
- 24831062Mitochondrial Fusion · compound_name
- MolClass ID
- 39996
- InChIKey
- IJAWABMKWCWYTJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COn2nnc1ccccc12)N3CCN(CC3)Cc4ccccc4
- Standard InChI
- InChI=1S/C19H21N5O2/c25-19(15-26-24-18-9-5-4-8-17(18)20-21-24)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2
- Stored Murcko scaffold
- n1nn(OC[CH]N2CCN(Cc3ccccc3)CC2)c4ccccc14
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.
- 24827517#40773
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 63.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.403 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.776
- 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 · 24831062