Molecule card · MolClass #36596
863157
863157: 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
- 863157Mitochondrial Fusion · compound_name
- MolClass ID
- 36596
- InChIKey
- GAUNKTINRGIOSC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c2c3C(=O)N(C)C(=O)N(C)c3(cn2(CCO))
- Standard InChI
- InChI=1S/C17H19N3O3/c1-11-5-4-6-12(9-11)15-14-13(10-20(15)7-8-21)18(2)17(23)19(3)16(14)22/h4-6,9-10,21H,7-8H2,1-3H3
- Stored Murcko scaffold
- n1cnc2c[nH]c(-c3ccccc3)c2c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 65.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.949
- 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 · 863157