Molecule card · MolClass #35568
24820921
24820921: 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
- 24820921Mitochondrial Fusion · compound_name
- MolClass ID
- 35568
- InChIKey
- XRRBLHFCTCLOIL-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c2ncn(CCn1ncnc1[N+](=O)[O-])n2
- Standard InChI
- InChI=1S/C6H6N8O4/c15-13(16)5-8-4-11(10-5)1-2-12-6(14(17)18)7-3-9-12/h3-4H,1-2H2
- Stored Murcko scaffold
- n1cnn(c1)CCn2ncnc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 147.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 254.163 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.291
- 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 · 24820921