Molecule card · MolClass #36246
24797857
24797857: 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
- 24797857Mitochondrial Fusion · compound_name
- MolClass ID
- 36246
- InChIKey
- RSALONGIUKENHQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(C)c(c3(CN2CCN(C1CCCC1)C(CCO)C2))Cl
- Standard InChI
- InChI=1S/C17H29ClN4O/c1-13-16(17(18)20(2)19-13)12-21-8-9-22(14-5-3-4-6-14)15(11-21)7-10-23/h14-15,23H,3-12H2,1-2H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCN(CC2)C3CCCC3
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
- 340.892 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.704
- 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 · 24797857