Molecule card · MolClass #47829
14732856
14732856: 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
- 14732856Mitochondrial Fusion · compound_name
- MolClass ID
- 47829
- InChIKey
- DCDBZQCFKRGKQV-GRSHGNNSSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)ON=C(C)c2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C14H13Cl2N3O/c1-8-6-9(2)18-14(17-8)20-19-10(3)12-5-4-11(15)7-13(12)16/h4-7H,1-3H3/b19-10-
- Stored Murcko scaffold
- N(Oc1ncccn1)=Cc2ccccc2
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.
- GK 03000#80960
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.179 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.612
- 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 · 14732856