Molecule card · MolClass #36733
7976864
7976864: 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
- 7976864Mitochondrial Fusion · compound_name
- MolClass ID
- 36733
- InChIKey
- HXTYONDTJBEKNC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)c2csc3N=C(C)N(C(=O)c23)n4cccc4
- Standard InChI
- InChI=1S/C16H13N3O2S/c1-10-5-6-13(21-10)12-9-22-15-14(12)16(20)19(11(2)17-15)18-7-3-4-8-18/h3-9H,1-2H3
- Stored Murcko scaffold
- N1=CN([CH]c2c1scc2-c3occc3)n4cccc4
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.
- 3715460#26935
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
- 78.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.629
- 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 · 7976864