Molecule card · MolClass #47595
7970576
7970576: 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
- 7970576Mitochondrial Fusion · compound_name
- MolClass ID
- 47595
- InChIKey
- UTMQDGRVLPBENN-UHFFFAOYSA-N
- Canonical SMILES
- CCCOC(=O)CC2C(=O)NCCN2(Cc1ccc(F)cc1)
- Standard InChI
- InChI=1S/C16H21FN2O3/c1-2-9-22-15(20)10-14-16(21)18-7-8-19(14)11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)
- Stored Murcko scaffold
- c1ccc(cc1)CN2C[CH]NCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.641
- 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 · 7970576