Molecule card · MolClass #47515
24817321
24817321: 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
- 24817321Mitochondrial Fusion · compound_name
- MolClass ID
- 47515
- InChIKey
- ZHRGBHLYLOPYRD-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cc1)NC(=O)c2c(O)nc3CCCCc3(c2(O))
- Standard InChI
- InChI=1S/C16H16N2O4/c19-10-7-5-9(6-8-10)17-15(21)13-14(20)11-3-1-2-4-12(11)18-16(13)22/h5-8,19H,1-4H2,(H,17,21)(H2,18,20,22)
- 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
- 3.027
- 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 · 24817321