Molecule card · MolClass #45951
24806331
24806331: 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
- 24806331Mitochondrial Fusion · compound_name
- MolClass ID
- 45951
- InChIKey
- VQOYUQXAQJKGSN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1[nH]c2ccc(cc2(n1))c3nc4ccccc4([nH]3)
- Standard InChI
- InChI=1S/C15H10N4/c1-9-16-13-7-6-10(8-14(13)17-9)15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3
- Stored Murcko scaffold
- n1c[nH]c2ccc(cc12)-c3nc4ccccc4[nH]3
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.
- 24791145#43664
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.801
- 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 · 24806331