Molecule card · MolClass #36646
24804875
24804875: 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
- 24804875Mitochondrial Fusion · compound_name
- MolClass ID
- 36646
- InChIKey
- YFUZRBRRNUSCQO-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)c2ncnc(c2(N))Cl
- Standard InChI
- InChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)9-7(11)8(10)12-6-13-9/h6H,2-5,11H2,1H3
- Stored Murcko scaffold
- n1cnc(cc1)N2CCNCC2
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.
- 2067670#15124
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.694 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.323
- 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 · 24804875