Molecule card · MolClass #40880
847355
847355: 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
- 847355Mitochondrial Fusion · compound_name
- MolClass ID
- 40880
- InChIKey
- NPNLOCUVZQPZPT-UHFFFAOYSA-N
- Canonical SMILES
- Nc3ncc(c1ccccc1)n3(CC2CCCO2)
- Standard InChI
- InChI=1S/C14H17N3O/c15-14-16-9-13(11-5-2-1-3-6-11)17(14)10-12-7-4-8-18-12/h1-3,5-6,9,12H,4,7-8,10H2,(H2,15,16)
- Stored Murcko scaffold
- n1cc(-c2ccccc2)n(c1)CC3OCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.247
- 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 · 847355