Molecule card · MolClass #50779
17433154
17433154: 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
- 17433154Mitochondrial Fusion · compound_name
- MolClass ID
- 50779
- InChIKey
- IPPOOQHKZOXIIR-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cc1Sc3nc2ccccc2s3)NS(=O)(=O)c5cccc4ccccc45
- Standard InChI
- InChI=1S/C23H16N2O3S3/c26-19-13-12-16(14-21(19)30-23-24-18-9-3-4-10-20(18)29-23)25-31(27,28)22-11-5-7-15-6-1-2-8-17(15)22/h1-14,25-26H
- Stored Murcko scaffold
- n1c(Sc2cccc(c2)NSc3cccc4ccccc34)sc5ccccc15
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 141.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 464.584 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.312
- 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 · 17433154