Molecule card · MolClass #37673
14723902
14723902: 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
- 14723902Mitochondrial Fusion · compound_name
- MolClass ID
- 37673
- InChIKey
- JHIOFDRUJGJPFN-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCc3c(C1)c2ccccc2n3(C)
- Standard InChI
- InChI=1S/C13H16N2/c1-14-8-7-13-11(9-14)10-5-3-4-6-12(10)15(13)2/h3-6H,7-9H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)[nH]c3c2CNCC3
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.
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 8.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 200.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.317
- 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 · 14723902