Molecule card · MolClass #46982
7965608
7965608: 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
- 7965608Mitochondrial Fusion · compound_name
- MolClass ID
- 46982
- InChIKey
- FDOCNEHIXHHBSD-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(c(c1)Nc3nc2ccccc2n4cnnc34)N5CCOCC5
- Standard InChI
- InChI=1S/C19H18N6O/c1-3-7-16(24-9-11-26-12-10-24)14(5-1)21-18-19-23-20-13-25(19)17-8-4-2-6-15(17)22-18/h1-8,13H,9-12H2,(H,21,22)
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2c1)Nc4ccccc4N5CCOCC5
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
- 6
- 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
- 67.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.221
- 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 · 7965608