Molecule card · MolClass #46812
17411195
17411195: 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
- 17411195Mitochondrial Fusion · compound_name
- MolClass ID
- 46812
- InChIKey
- RIZHEPFCVROKLB-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=CC(=CN2(Cc1ccc(c(c1)Cl)Cl))NS(=O)(=O)c3ccccc3
- Standard InChI
- InChI=1S/C18H14Cl2N2O3S/c19-16-8-6-13(10-17(16)20)11-22-12-14(7-9-18(22)23)21-26(24,25)15-4-2-1-3-5-15/h1-10,12,21H,11H2
- Stored Murcko scaffold
- S(NC=1C=C[CH]N(C1)Cc2ccccc2)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.
- 17411473#48220
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.001
- 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 · 17411195