Molecule card · MolClass #48205
7972245
7972245: 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
- 7972245Mitochondrial Fusion · compound_name
- MolClass ID
- 48205
- InChIKey
- DXYSVEWCRKGXKK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)Nc3nc4NC(C)=CC(c2ccccc2)n4(n3)
- Standard InChI
- InChI=1S/C19H19N5O2S/c1-13-8-10-16(11-9-13)27(25,26)23-18-21-19-20-14(2)12-17(24(19)22-18)15-6-4-3-5-7-15/h3-12,17H,1-2H3,(H2,20,21,22,23)
- Stored Murcko scaffold
- n1c(nn2c1NC=CC2c3ccccc3)NSc4ccccc4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.121
- 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 · 7972245