Molecule card · MolClass #48260
7973330
7973330: 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
- 7973330Mitochondrial Fusion · compound_name
- MolClass ID
- 48260
- InChIKey
- HXBVOODYKGDVCZ-RIYZIHGNSA-N
- Canonical SMILES
- COc2ccccc2(N=C(C)C=1C(=O)CSC=1(O))
- Standard InChI
- InChI=1S/C13H13NO3S/c1-8(12-10(15)7-18-13(12)16)14-9-5-3-4-6-11(9)17-2/h3-6,16H,7H2,1-2H3/b14-8+
- Stored Murcko scaffold
- N(=CC1=CSC[CH]1)c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.454
- 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 · 7973330