Molecule card · MolClass #36289
24821197
24821197: 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
- 24821197Mitochondrial Fusion · compound_name
- MolClass ID
- 36289
- InChIKey
- GDYFBIZAFQNXCN-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nc2NC(CC(=O)n2(n1))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C11H10ClN5O/c12-7-3-1-6(2-4-7)8-5-9(18)17-11(14-8)15-10(13)16-17/h1-4,8H,5H2,(H3,13,14,15,16)
- Stored Murcko scaffold
- n1cnn2[CH]CC(Nc12)c3ccccc3
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.
- 24820499#26348
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.683 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.443
- 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 · 24821197