Molecule card · MolClass #39446
24797548
24797548: 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
- 24797548Mitochondrial Fusion · compound_name
- MolClass ID
- 39446
- InChIKey
- YTJGYTOVJIZDRK-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)c1c(O)cc(NNC(=O)CC#N)nc1N(C)C2(=O)
- Standard InChI
- InChI=1S/C12H12N6O4/c1-17-10-9(11(21)18(2)12(17)22)6(19)5-7(14-10)15-16-8(20)3-4-13/h5H,3H2,1-2H3,(H,16,20)(H2,14,15,19)
- Stored Murcko scaffold
- n1cnc2ncccc2c1
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
- 10
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.495
- 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 · 24797548