Molecule card · MolClass #51553
14736712
14736712: 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
- 14736712Mitochondrial Fusion · compound_name
- MolClass ID
- 51553
- InChIKey
- ZXNGGHDOLGVIBR-GHXNOFRVSA-N
- Canonical SMILES
- CC3=NOC(=O)C3(=Cc1ccc(o1)c2ccc(cc2Cl)Cl)
- Standard InChI
- InChI=1S/C15H9Cl2NO3/c1-8-12(15(19)21-18-8)7-10-3-5-14(20-10)11-4-2-9(16)6-13(11)17/h2-7H,1H3/b12-7-
- Stored Murcko scaffold
- N=1O[CH]C(C1)=Cc2oc(cc2)-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.143 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.389
- 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 · 14736712