Molecule card · MolClass #49168
24819625
24819625: 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
- 24819625Mitochondrial Fusion · compound_name
- MolClass ID
- 49168
- InChIKey
- UKETVPRKGSRQLQ-FNORWQNLSA-N
- Canonical SMILES
- CC2(C)(C=C(C=Cc1ccc(cc1Cl)Cl)N=C(N2)SC)
- Standard InChI
- InChI=1S/C15H16Cl2N2S/c1-15(2)9-12(18-14(19-15)20-3)7-5-10-4-6-11(16)8-13(10)17/h4-9H,1-3H3,(H,18,19)/b7-5+
- Stored Murcko scaffold
- N1=CNCC=C1C=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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.913
- 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 · 24819625