Molecule card · MolClass #50992
17412285
17412285: 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
- 17412285Mitochondrial Fusion · compound_name
- MolClass ID
- 50992
- InChIKey
- HKWMOIVOYBWHTM-UFFVCSGVSA-N
- Canonical SMILES
- O=C(O)c1cc(ccc1Cl)c3ccc(C=NNc2ccc(cc2)Cl)o3
- Standard InChI
- InChI=1S/C18H12Cl2N2O3/c19-12-2-4-13(5-3-12)22-21-10-14-6-8-17(25-14)11-1-7-16(20)15(9-11)18(23)24/h1-10,22H,(H,23,24)/b21-10+
- Stored Murcko scaffold
- N(=Cc1oc(cc1)-c2ccccc2)Nc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.206 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.853
- 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 · 17412285