Molecule card · MolClass #43902
7968726
7968726: 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
- 7968726Mitochondrial Fusion · compound_name
- MolClass ID
- 43902
- InChIKey
- SVRXZMPDBNOCBH-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)Nc3nc2ccccc2n4cnnc34
- Standard InChI
- InChI=1S/C15H11N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h1-10H,(H,17,18)
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2c1)Nc4ccccc4
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.
- 49669186#27772
- 7969003#29642
- COc1ccc(NC2=Nc3ccccc3n3cnnc32)cc1#151614
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.282 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.292
- 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 · 7968726