Molecule card · MolClass #38904
24805576
24805576: 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
- 24805576Mitochondrial Fusion · compound_name
- MolClass ID
- 38904
- InChIKey
- IJLRBLFSEGYCIX-UHFFFAOYSA-N
- Canonical SMILES
- C=CCOc2cccc(CNn1nnnc1(N))c2
- Standard InChI
- InChI=1S/C11H14N6O/c1-2-6-18-10-5-3-4-9(7-10)8-13-17-11(12)14-15-16-17/h2-5,7,13H,1,6,8H2,(H2,12,14,16)
- Stored Murcko scaffold
- n1ncn(n1)NCc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.449
- 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 · 24805576