Molecule card · MolClass #50827
17431940
17431940: 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
- 17431940Mitochondrial Fusion · compound_name
- MolClass ID
- 50827
- InChIKey
- FEVQYSDSPSYMMY-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2nc(ccc2(c1))c4nnc(n4(c3cc(cc(c3)Cl)Cl))S
- Standard InChI
- InChI=1S/C17H10Cl2N4S/c18-11-7-12(19)9-13(8-11)23-16(21-22-17(23)24)15-6-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,22,24)
- Stored Murcko scaffold
- n1nc(-c2nc3ccccc3cc2)n(c1)-c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.696
- 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 · 17431940