Molecule card · MolClass #42188
859353
859353: 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
- 859353Mitochondrial Fusion · compound_name
- MolClass ID
- 42188
- InChIKey
- XBGZBDNMQKQQNS-UHFFFAOYSA-N
- Canonical SMILES
- Cn2nnnc2(CCOCCc1nnnn1(C))
- Standard InChI
- InChI=1S/C8H14N8O/c1-15-7(9-11-13-15)3-5-17-6-4-8-10-12-14-16(8)2/h3-6H2,1-2H3
- Stored Murcko scaffold
- n1n[nH]c(n1)CCOCCc2nnn[nH]2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.152
- 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 · 859353