Molecule card · MolClass #38332
14728283
14728283: 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
- 14728283Mitochondrial Fusion · compound_name
- MolClass ID
- 38332
- InChIKey
- QBPTUGPJJOOHAY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2nc3c4ccccc4(Cn3(n2))
- Standard InChI
- InChI=1S/C16H13N3/c1-11-6-8-12(9-7-11)15-17-16-14-5-3-2-4-13(14)10-19(16)18-15/h2-9H,10H2,1H3
- Stored Murcko scaffold
- n1c(nn2c1-c3ccccc3C2)-c4ccccc4
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.
- 4256623#38257
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 30.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.082
- 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 · 14728283