Molecule card · MolClass #43727
7973512
7973512: 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
- 7973512Mitochondrial Fusion · compound_name
- MolClass ID
- 43727
- InChIKey
- FBYUKWLOYLEBCO-UHFFFAOYSA-N
- Canonical SMILES
- CC1=C(C)C(=O)N(CCC(=O)O)C1(=O)
- Standard InChI
- InChI=1S/C9H11NO4/c1-5-6(2)9(14)10(8(5)13)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)
- Stored Murcko scaffold
- [N]1[CH]C=C[CH]1
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.
- LOPAC 00893#440
- ZINC01596444#23791
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
- 74.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 197.188 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.632
- 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 · 7973512