Molecule card · MolClass #39181
24812819
24812819: 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
- 24812819Mitochondrial Fusion · compound_name
- MolClass ID
- 39181
- InChIKey
- IWSBLQPUEGVOKH-UHFFFAOYSA-N
- Canonical SMILES
- CC2CCc1ccccc1N2C(=N)Nc3ccccc3
- Standard InChI
- InChI=1S/C17H19N3/c1-13-11-12-14-7-5-6-10-16(14)20(13)17(18)19-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H2,18,19)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2c3ccccc3CCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.759
- 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 · 24812819