Molecule card · MolClass #49414
24805975
24805975: 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
- 24805975Mitochondrial Fusion · compound_name
- MolClass ID
- 49414
- InChIKey
- PXVSWMUZYURFDX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C4=NN=C(c2ccncc2)c5ccc3ccccc3c5(N4)
- Standard InChI
- InChI=1S/C24H18N4/c1-16-6-8-19(9-7-16)24-26-23-20-5-3-2-4-17(20)10-11-21(23)22(27-28-24)18-12-14-25-15-13-18/h2-15H,1H3,(H,26,28)
- Stored Murcko scaffold
- n1ccc(cc1)C2=NN=C(Nc3c4ccccc4ccc23)c5ccccc5
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.939
- 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 · 24805975