Molecule card · MolClass #38780
7965709
7965709: 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
- 7965709Mitochondrial Fusion · compound_name
- MolClass ID
- 38780
- InChIKey
- UHLSOHRAJDHHDV-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c4cc(C(=O)NCCc1ccsc1)n(C)c4(c2ccccc23)
- Standard InChI
- InChI=1S/C20H19N3O2S/c1-22-17(19(24)21-9-7-13-8-10-26-12-13)11-15-18(22)14-5-3-4-6-16(14)23(2)20(15)25/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24)
- Stored Murcko scaffold
- n1cc2cc([CH]NCCc3cscc3)[nH]c2c4ccccc14
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.922
- 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 · 7965709