Molecule card · MolClass #37389
4257973
4257973: 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
- 4257973Mitochondrial Fusion · compound_name
- MolClass ID
- 37389
- InChIKey
- UYNJOUGVRWDHHU-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(Cn3ccc(NC(=O)c1cnn2cccnc12)n3)
- Standard InChI
- InChI=1S/C18H16N6O/c1-13-5-2-3-6-14(13)12-23-10-7-16(22-23)21-18(25)15-11-20-24-9-4-8-19-17(15)24/h2-11H,12H2,1H3,(H,21,22,25)
- Stored Murcko scaffold
- n1cccn2ncc([CH]Nc3nn(cc3)Cc4ccccc4)c12
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.475
- 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 · 4257973