Molecule card · MolClass #37533
24813772
24813772: 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
- 24813772Mitochondrial Fusion · compound_name
- MolClass ID
- 37533
- InChIKey
- CXYTZOGRAMKMAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c3c1C(C)=Nc2cc(ccc2S3)C(=O)O
- Standard InChI
- InChI=1S/C17H15NO2S/c1-9-4-5-10(2)16-15(9)11(3)18-13-8-12(17(19)20)6-7-14(13)21-16/h4-8H,1-3H3,(H,19,20)
- Stored Murcko scaffold
- N1=Cc2ccccc2Sc3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.008
- 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 · 24813772