Molecule card · MolClass #36303
24707832
24707832: 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
- 24707832Mitochondrial Fusion · compound_name
- MolClass ID
- 36303
- InChIKey
- DOOPFIWMVXIHFG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n2nnc(n2)c4cc3ccccc3n4(C)
- Standard InChI
- InChI=1S/C17H15N5/c1-12-7-9-14(10-8-12)22-19-17(18-20-22)16-11-13-5-3-4-6-15(13)21(16)2/h3-11H,1-2H3
- Stored Murcko scaffold
- n1nn(nc1-c2cc3ccccc3[nH]2)-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.
- 24707986#30153
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
- 48.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.751
- 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 · 24707832