Molecule card · MolClass #36888
17507517
17507517: 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
- 17507517Mitochondrial Fusion · compound_name
- MolClass ID
- 36888
- InChIKey
- USDOEGQDKZRSEB-GHXNOFRVSA-N
- Canonical SMILES
- Cc1nc(C)sc1C(O)=CC2=Nc3ccccc3(OC2(=O))
- Standard InChI
- InChI=1S/C15H12N2O3S/c1-8-14(21-9(2)16-8)12(18)7-11-15(19)20-13-6-4-3-5-10(13)17-11/h3-7,18H,1-2H3/b12-7-
- Stored Murcko scaffold
- n1csc(c1)C=CC2=Nc3ccccc3O[CH]2
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.
- 17513251#28694
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.334 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.571
- 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 · 17507517