Molecule card · MolClass #37052
7975609
7975609: 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
- 7975609Mitochondrial Fusion · compound_name
- MolClass ID
- 37052
- InChIKey
- HKZDGMHSXKWEHQ-UHFFFAOYSA-N
- Canonical SMILES
- CNc1cc(ncn1)n3nc(C)cc3(c2ccccc2)
- Standard InChI
- InChI=1S/C15H15N5/c1-11-8-13(12-6-4-3-5-7-12)20(19-11)15-9-14(16-2)17-10-18-15/h3-10H,1-2H3,(H,16,17,18)
- Stored Murcko scaffold
- n1cnc(cc1)-n2nccc2-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.106
- 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 · 7975609