Molecule card · MolClass #44631
14730586
14730586: 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
- 14730586Mitochondrial Fusion · compound_name
- MolClass ID
- 44631
- InChIKey
- ZDMWDTNIEOVGRF-UHFFFAOYSA-N
- Canonical SMILES
- Oc2nnc(Cc1ccc(cc1Cl)Cl)c3ccccc23
- Standard InChI
- InChI=1S/C15H10Cl2N2O/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(20)19-18-14/h1-6,8H,7H2,(H,19,20)
- Stored Murcko scaffold
- n1nc(c2ccccc2c1)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.159 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.616
- 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 · 14730586