Molecule card · MolClass #45651
17510055
17510055: 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
- 17510055Mitochondrial Fusion · compound_name
- MolClass ID
- 45651
- InChIKey
- PVZQZNZPIBPPTG-HNTZWPLZSA-N
- Canonical SMILES
- O=C3OC(C=Cc1ccc(cc1)Cl)=NC3(=Cc2ccco2)
- Standard InChI
- InChI=1S/C16H10ClNO3/c17-12-6-3-11(4-7-12)5-8-15-18-14(16(19)21-15)10-13-2-1-9-20-13/h1-10H/b8-5+,14-10+
- Stored Murcko scaffold
- N1=C(O[CH]C1=Cc2occc2)C=Cc3ccccc3
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.
- 3122471#18005
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 51.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.709 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.372
- 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 · 17510055