Molecule card · MolClass #52014
7969462
7969462: 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
- 7969462Mitochondrial Fusion · compound_name
- MolClass ID
- 52014
- InChIKey
- DLJHKUKZXUWCQO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)n3ncc2c(ncnc23)N4CC(C)CC(C)C4
- Standard InChI
- InChI=1S/C19H23N5/c1-13-5-4-6-16(8-13)24-19-17(9-22-24)18(20-12-21-19)23-10-14(2)7-15(3)11-23/h4-6,8-9,12,14-15H,7,10-11H2,1-3H3
- Stored Murcko scaffold
- n1cnc(c2cnn(c12)-c3ccccc3)N4CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.906
- 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 · 7969462