Molecule card · MolClass #46972
24790851
24790851: 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
- 24790851Mitochondrial Fusion · compound_name
- MolClass ID
- 46972
- InChIKey
- VVGBAVHCIBTZMB-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(c1ccc2ccccc2(c1))N3CCN=C3SCc4cccnc4
- Standard InChI
- InChI=1S/C19H17N3O2S2/c23-26(24,18-8-7-16-5-1-2-6-17(16)12-18)22-11-10-21-19(22)25-14-15-4-3-9-20-13-15/h1-9,12-13H,10-11,14H2
- Stored Murcko scaffold
- n1cccc(c1)CSC2=NCCN2Sc3ccc4ccccc4c3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.49 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.675
- 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 · 24790851