Molecule card · MolClass #38500
24806996
24806996: 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
- 24806996Mitochondrial Fusion · compound_name
- MolClass ID
- 38500
- InChIKey
- NWFGZRLGENNRGZ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)N2CCCN=C2N3(CCCl)
- Standard InChI
- InChI=1S/C12H14ClN3/c13-6-9-16-11-5-2-1-4-10(11)15-8-3-7-14-12(15)16/h1-2,4-5H,3,6-9H2
- Stored Murcko scaffold
- N1=C2Nc3ccccc3N2CCC1
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.
- 24800905#31494
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 18.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.713 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.471
- 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 · 24806996