Molecule card · MolClass #38798
857912
857912: 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
- 857912Mitochondrial Fusion · compound_name
- MolClass ID
- 38798
- InChIKey
- PFFANLXVTHIIBE-UHFFFAOYSA-N
- Canonical SMILES
- C[n+]1ccc(cc1)c2ccncc2
- Standard InChI
- InChI=1S/C11H11N2/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10/h2-9H,1H3/q+1
- Stored Murcko scaffold
- n1ccc(cc1)-c2cc[nH+]cc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 16.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 171.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.099
- 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 · 857912