Molecule card · MolClass #48455
24805097
24805097: 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
- 24805097Mitochondrial Fusion · compound_name
- MolClass ID
- 48455
- InChIKey
- VUIUWTHYORELHD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)N3C(=O)C4C2CCC(C2)C4(C3(=O))
- Standard InChI
- InChI=1S/C13H14N2O3/c1-6-4-9(14-18-6)15-12(16)10-7-2-3-8(5-7)11(10)13(15)17/h4,7-8,10-11H,2-3,5H2,1H3
- Stored Murcko scaffold
- n1occc1N2[CH]C3C([CH]2)C4CCC3C4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.512
- 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 · 24805097