Molecule card · MolClass #39495
22404377
22404377: 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
- 22404377Mitochondrial Fusion · compound_name
- MolClass ID
- 39495
- InChIKey
- MZLCXFSVTREBNM-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(Nc2ccccc12)c3cc4ccccc4(nc3Cl)
- Standard InChI
- InChI=1S/C17H12ClN3O/c18-15-12(9-10-5-1-3-7-13(10)19-15)16-20-14-8-4-2-6-11(14)17(22)21-16/h1-9,16,20H,(H,21,22)
- Stored Murcko scaffold
- n1cc(cc2ccccc12)C3N[CH]c4ccccc4N3
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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.75 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.627
- 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 · 22404377