Molecule card · MolClass #42967
24822142
24822142: 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
- 24822142Mitochondrial Fusion · compound_name
- MolClass ID
- 42967
- InChIKey
- HFZPNMPGWAFLHC-CIAFOILYSA-N
- Canonical SMILES
- CCOc3nn(c1ccc(cc1)Cl)c(O)c3(C=NCc2cccnc2)
- Standard InChI
- InChI=1S/C18H17ClN4O2/c1-2-25-17-16(12-21-11-13-4-3-9-20-10-13)18(24)23(22-17)15-7-5-14(19)6-8-15/h3-10,12,24H,2,11H2,1H3/b21-12+
- Stored Murcko scaffold
- n1cccc(c1)CN=Cc2cnn(c2)-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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.468
- 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 · 24822142