Molecule card · MolClass #38689
16953084
16953084: 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
- 16953084Mitochondrial Fusion · compound_name
- MolClass ID
- 38689
- InChIKey
- RARCZMDOEKCCDB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc2nnc1c(cc(cn12)Cl)Cl)N3CCOCC3
- Standard InChI
- InChI=1S/C12H12Cl2N4O2S/c13-8-5-9(14)11-15-16-12(18(11)6-8)21-7-10(19)17-1-3-20-4-2-17/h5-6H,1-4,7H2
- Stored Murcko scaffold
- n1nc2ccccn2c1SC[CH]N3CCOCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.42
- 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 · 16953084