Molecule card · MolClass #37201
24817495
24817495: 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
- 24817495Mitochondrial Fusion · compound_name
- MolClass ID
- 37201
- InChIKey
- ZKXXKBRPGDHLIB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2c3ccccc3(nc2(c(O)n1(N)))
- Standard InChI
- InChI=1S/C11H10N4O/c1-6-13-9-7-4-2-3-5-8(7)14-10(9)11(16)15(6)12/h2-5,16H,12H2,1H3
- Stored Murcko scaffold
- n1c[nH]cc-2nc3ccccc3c12
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.
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 214.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.969
- 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 · 24817495