Molecule card · MolClass #41625
22405383
22405383: 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
- 22405383Mitochondrial Fusion · compound_name
- MolClass ID
- 41625
- InChIKey
- SSNMFMCTQUDGKM-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Nc1nc(nc(n1)Cl)NN(C)c2nc(nc(n2)N(C)C)N(C)C
- Standard InChI
- InChI=1S/C14H24ClN11/c1-8(2)16-10-17-9(15)18-11(19-10)23-26(7)14-21-12(24(3)4)20-13(22-14)25(5)6/h8H,1-7H3,(H2,16,17,18,19,23)
- Stored Murcko scaffold
- n1cnc(nc1)NNc2ncncn2
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
- 11
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.868 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.173
- 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 · 22405383