Molecule card · MolClass #36526
24800437
24800437: 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
- 24800437Mitochondrial Fusion · compound_name
- MolClass ID
- 36526
- InChIKey
- WWXBMDXAXIVZHY-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(C)c(c3(CN2CCN(C1CCCCC1)C(CCO)C2))Cl
- Standard InChI
- InChI=1S/C18H31ClN4O/c1-14-17(18(19)21(2)20-14)13-22-9-10-23(16(12-22)8-11-24)15-6-4-3-5-7-15/h15-16,24H,3-13H2,1-2H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCN(CC2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.919 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.273
- 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 · 24800437