Molecule card · MolClass #37386
7976468
7976468: 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
- 7976468Mitochondrial Fusion · compound_name
- MolClass ID
- 37386
- InChIKey
- MHVLKEBYKIKILD-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1nonc1c3nc2ccccc2n3N(C(C)=O)C(C)=O
- Standard InChI
- InChI=1S/C15H14N6O4/c1-8(22)16-14-13(18-25-19-14)15-17-11-6-4-5-7-12(11)21(15)20(9(2)23)10(3)24/h4-7H,1-3H3,(H,16,19,22)
- Stored Murcko scaffold
- n1onc(c1)-c2nc3ccccc3[nH]2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.332
- 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 · 7976468