Molecule card · MolClass #48482
24837637
24837637: 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
- 24837637Mitochondrial Fusion · compound_name
- MolClass ID
- 48482
- InChIKey
- WQLPFSVAWDLWNE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C(=O)NNC(=O)C1CCCC1)c(C)o2
- Standard InChI
- InChI=1S/C13H18N2O3/c1-8-7-11(9(2)18-8)13(17)15-14-12(16)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,16)(H,15,17)
- Stored Murcko scaffold
- o1ccc(c1)[CH]NN[CH]C2CCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.726
- 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 · 24837637