Molecule card · MolClass #40863
24817227
24817227: 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
- 24817227Mitochondrial Fusion · compound_name
- MolClass ID
- 40863
- InChIKey
- GXSVJHDXYPOFSD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N2C=C(C(=O)O)C(=O)C=C2(C)
- Standard InChI
- InChI=1S/C14H13NO3/c1-9-4-3-5-11(6-9)15-8-12(14(17)18)13(16)7-10(15)2/h3-8H,1-2H3,(H,17,18)
- Stored Murcko scaffold
- c1ccc(cc1)N2C=C[CH]C=C2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.938
- 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 · 24817227