Molecule card · MolClass #48810
7974784
7974784: 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
- 7974784Mitochondrial Fusion · compound_name
- MolClass ID
- 48810
- InChIKey
- IVPXNHAPVKVMOO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)NCCOC(=O)NC2=C(C)N(C)C(=S)S2
- Standard InChI
- InChI=1S/C15H19N3O4S3/c1-10-4-6-12(7-5-10)25(20,21)16-8-9-22-14(19)17-13-11(2)18(3)15(23)24-13/h4-7,16H,8-9H2,1-3H3,(H,17,19)
- Stored Murcko scaffold
- n1csc(c1)N[CH]OCCNSc2ccccc2
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.
- 7974484#46892
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 153.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.528 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.144
- 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 · 7974784