Molecule card · MolClass #41353
24804006
24804006: 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
- 24804006Mitochondrial Fusion · compound_name
- MolClass ID
- 41353
- InChIKey
- IPNKQEXEZCHFKE-UHFFFAOYSA-N
- Canonical SMILES
- Oc3ccccc3(NC(=O)c1c(O)nc2CCCCc2(c1(O)))
- Standard InChI
- InChI=1S/C16H16N2O4/c19-12-8-4-3-7-11(12)18-16(22)13-14(20)9-5-1-2-6-10(9)17-15(13)21/h3-4,7-8,19H,1-2,5-6H2,(H,18,22)(H2,17,20,21)
- Stored Murcko scaffold
- n1cc([CH]Nc2ccccc2)cc3c1CCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.456
- 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 · 24804006