Molecule card · MolClass #49816
24782643
24782643: 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
- 24782643Mitochondrial Fusion · compound_name
- MolClass ID
- 49816
- InChIKey
- OTHWTCCOPJDHAU-VLGSPTGOSA-N
- Canonical SMILES
- O=C2CSC(=NC(=O)c1ccccc1)N2c3ccccc3Cl
- Standard InChI
- InChI=1S/C16H11ClN2O2S/c17-12-8-4-5-9-13(12)19-14(20)10-22-16(19)18-15(21)11-6-2-1-3-7-11/h1-9H,10H2/b18-16-
- Stored Murcko scaffold
- N([CH]c1ccccc1)=C2SC[CH]N2c3ccccc3
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
- 4
- 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
- 75.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.79 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.655
- 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 · 24782643