Molecule card · MolClass #38983
17386679
17386679: 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
- 17386679Mitochondrial Fusion · compound_name
- MolClass ID
- 38983
- InChIKey
- DWORARQWIXXBCR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N4C(=O)CCSC34(C(=O)Nc2ccccc23)
- Standard InChI
- InChI=1S/C18H16N2O2S/c1-12-6-8-13(9-7-12)20-16(21)10-11-23-18(20)14-4-2-3-5-15(14)19-17(18)22/h2-9H,10-11H2,1H3,(H,19,22)
- Stored Murcko scaffold
- S1CC[CH]N(c2ccccc2)C13[CH]Nc4ccccc43
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.47
- 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 · 17386679