Molecule card · MolClass #44736
856134
856134: 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
- 856134Mitochondrial Fusion · compound_name
- MolClass ID
- 44736
- InChIKey
- RCXFJYVHZBXWRS-UHFFFAOYSA-N
- Canonical SMILES
- c1cnc(nc1)N3CC[N+]2(CCCC2)CC3
- Standard InChI
- InChI=1S/C12H19N4/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12/h3-5H,1-2,6-11H2/q+1
- Stored Murcko scaffold
- n1cccnc1N2CC[N+]3(CC2)CCCC3
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
- 3
- 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
- 29.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.744
- 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 · 856134