Molecule card · MolClass #35982
4241883
4241883: 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
- 4241883Mitochondrial Fusion · compound_name
- MolClass ID
- 35982
- InChIKey
- PGQWZOFAFURRSC-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)c2c(cn(c2(c1ccccc1))n3cnnc3)N(C)C4(=O)
- Standard InChI
- InChI=1S/C16H14N6O2/c1-19-12-8-22(21-9-17-18-10-21)14(11-6-4-3-5-7-11)13(12)15(23)20(2)16(19)24/h3-10H,1-2H3
- Stored Murcko scaffold
- n1ncn(c1)-n2cc3ncncc3c2-c4ccccc4
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.
- 3245142#9978
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.856
- 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 · 4241883