Molecule card · MolClass #48842
17434007
17434007: 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
- 17434007Mitochondrial Fusion · compound_name
- MolClass ID
- 48842
- InChIKey
- JKKGUXPHBANSAW-RBCZPYDQSA-N
- Canonical SMILES
- N=C3N(C(=O)C(=Cc1ccc(o1)c2cccc(c2)Cl)S3)c4nccs4
- Standard InChI
- InChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9-,19-16?
- Stored Murcko scaffold
- n1ccsc1N2[CH]SC(=Cc3oc(cc3)-c4ccccc4)[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.
- 1978599#15796
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 387.866 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.432
- 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 · 17434007