Molecule card · MolClass #49315
24813491
24813491: 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
- 24813491Mitochondrial Fusion · compound_name
- MolClass ID
- 49315
- InChIKey
- HLMAAXQVSYQPOP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)Nc2nc3nonc3(nc2(O))
- Standard InChI
- InChI=1S/C11H8ClN5O2/c1-5-2-3-6(4-7(5)12)13-10-11(18)15-9-8(14-10)16-19-17-9/h2-4H,1H3,(H,13,14,16)(H,15,17,18)
- Stored Murcko scaffold
- n1onc2nc(cnc12)Nc3ccccc3
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.
- 1500171#18365
- CCN(c1ccccc1)c1nc2nonc2nc1NCCO#151207
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.667 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.885
- 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 · 24813491