Molecule card · MolClass #42420
7978251
7978251: 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
- 7978251Mitochondrial Fusion · compound_name
- MolClass ID
- 42420
- InChIKey
- SZSHQZAZIHDGPE-CAOOACKPSA-N
- Canonical SMILES
- CC=2C=C(C)N(N=Cc1cccc(O)c1)C(=O)C=2C(N)=O
- Standard InChI
- InChI=1S/C15H15N3O3/c1-9-6-10(2)18(15(21)13(9)14(16)20)17-8-11-4-3-5-12(19)7-11/h3-8,19H,1-2H3,(H2,16,20)/b17-8+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N2[CH]C=CC=C2
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
- 6
- 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
- 95.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.804
- 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 · 7978251