Molecule card · MolClass #47633
7969448
7969448: 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
- 7969448Mitochondrial Fusion · compound_name
- MolClass ID
- 47633
- InChIKey
- ULEXCJRDLXUKQP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)CC(=O)NC2=CC(=O)N(C)C(=O)N2(C)
- Standard InChI
- InChI=1S/C15H17N3O4/c1-17-12(9-14(20)18(2)15(17)21)16-13(19)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,16,19)
- Stored Murcko scaffold
- n1cnc(cc1)N[CH]Cc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.599
- 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 · 7969448