Molecule card · MolClass #45905
24793456
24793456: 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
- 24793456Mitochondrial Fusion · compound_name
- MolClass ID
- 45905
- InChIKey
- PQTNTLAURNVWGR-UHFFFAOYSA-N
- Canonical SMILES
- CC1=Nc3ccccc3(N=C(N)C1c2ccccc2)
- Standard InChI
- InChI=1S/C16H15N3/c1-11-15(12-7-3-2-4-8-12)16(17)19-14-10-6-5-9-13(14)18-11/h2-10,15H,1H3,(H2,17,19)
- Stored Murcko scaffold
- N1=CC(C=Nc2ccccc12)c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.936
- 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 · 24793456