Molecule card · MolClass #42297
4255652
4255652: 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
- 4255652Mitochondrial Fusion · compound_name
- MolClass ID
- 42297
- InChIKey
- HHYKCEFFPDIUQR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)CC(C(=O)O)n2cccn2
- Standard InChI
- InChI=1S/C14H14N2O3/c1-10-3-5-11(6-4-10)13(17)9-12(14(18)19)16-8-2-7-15-16/h2-8,12H,9H2,1H3,(H,18,19)
- Stored Murcko scaffold
- n1cccn1CC[CH]c2ccccc2
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.
- 4263245#44524
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 72.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.038
- 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 · 4255652