Molecule card · MolClass #45725
7970086
7970086: 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
- 7970086Mitochondrial Fusion · compound_name
- MolClass ID
- 45725
- InChIKey
- POSLCQQJAPMTLB-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=C(NC(=O)Cc1ccc(F)cc1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C14H14FN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.845
- 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 · 7970086