Molecule card · MolClass #43802
4259878
4259878: 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
- 4259878Mitochondrial Fusion · compound_name
- MolClass ID
- 43802
- InChIKey
- DXFQTINDZPBOJM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn3c(nnc3(c2ccccc12))c4ccccc4
- Standard InChI
- InChI=1S/C16H12N4/c1-11-13-9-5-6-10-14(13)16-18-17-15(20(16)19-11)12-7-3-2-4-8-12/h2-10H,1H3
- Stored Murcko scaffold
- n1nc2c3ccccc3cnn2c1-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.476
- 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 · 4259878