Molecule card · MolClass #45601
24793750
24793750: 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
- 24793750Mitochondrial Fusion · compound_name
- MolClass ID
- 45601
- InChIKey
- OPAIRDNQBBYJOT-UHFFFAOYSA-N
- Canonical SMILES
- COCC=2C=C(C)N(CC(=O)N1CCCC1)C(=O)C=2(C#N)
- Standard InChI
- InChI=1S/C15H19N3O3/c1-11-7-12(10-21-2)13(8-16)15(20)18(11)9-14(19)17-5-3-4-6-17/h7H,3-6,9-10H2,1-2H3
- Stored Murcko scaffold
- C1=C[CH]N(C=C1)C[CH]N2CCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.611
- 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 · 24793750