Molecule card · MolClass #43441
17410609
17410609: 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
- 17410609Mitochondrial Fusion · compound_name
- MolClass ID
- 43441
- InChIKey
- FGGHQJHLQVTLIX-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)Nc3nnnn3(c2ccccc2)
- Standard InChI
- InChI=1S/C13H17N5/c1-3-7-11(8-4-1)14-13-15-16-17-18(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17)
- Stored Murcko scaffold
- n1nc(NC2CCCCC2)n(n1)-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.
- 17408256#38263
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
- 243.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.742
- 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 · 17410609