Molecule card · MolClass #40704
7975883
7975883: 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
- 7975883Mitochondrial Fusion · compound_name
- MolClass ID
- 40704
- InChIKey
- HQQYPVGYZKMHLV-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N3c1ccccc1c4nnc(nc4(OC3(c2ccsc2)))SC
- Standard InChI
- InChI=1S/C17H14N4O2S2/c1-10(22)21-13-6-4-3-5-12(13)14-15(18-17(24-2)20-19-14)23-16(21)11-7-8-25-9-11/h3-9,16H,1-2H3
- Stored Murcko scaffold
- n1nc-2c(nc1)OC([N]c3ccccc32)c4cscc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 121.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.93
- 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 · 7975883