Molecule card · MolClass #51061
17410012
17410012: 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
- 17410012Mitochondrial Fusion · compound_name
- MolClass ID
- 51061
- InChIKey
- JQGUZYIYLIDVLZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(NC(=O)c1ccco1)sc2c4csc(Nc3ccc(cc3Cl)Cl)n4
- Standard InChI
- InChI=1S/C18H12Cl2N4O2S2/c1-9-15(28-18(21-9)24-16(25)14-3-2-6-26-14)13-8-27-17(23-13)22-12-5-4-10(19)7-11(12)20/h2-8H,1H3,(H,22,23)(H,21,24,25)
- Stored Murcko scaffold
- n1cc(sc1N[CH]c2occc2)-c3nc(sc3)Nc4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 451.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.732
- 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 · 17410012