Molecule card · MolClass #38275
24819863
24819863: 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
- 24819863Mitochondrial Fusion · compound_name
- MolClass ID
- 38275
- InChIKey
- INDANFLNUJWOPV-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N2N=C(C(C)=O)C(=O)NC2(=O)
- Standard InChI
- InChI=1S/C12H11N3O4/c1-7(16)10-11(17)13-12(18)15(14-10)8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,13,17,18)
- Stored Murcko scaffold
- N1=C[CH]N[CH]N1c2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.141
- 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 · 24819863