Molecule card · MolClass #48027
24828465
24828465: 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
- 24828465Mitochondrial Fusion · compound_name
- MolClass ID
- 48027
- InChIKey
- ZTOGQAVRCDLHLI-UHFFFAOYSA-N
- Canonical SMILES
- Cn2c3ccccc3(nc2(C(O)C(O)c1ccccc1))
- Standard InChI
- InChI=1S/C16H16N2O2/c1-18-13-10-6-5-9-12(13)17-16(18)15(20)14(19)11-7-3-2-4-8-11/h2-10,14-15,19-20H,1H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1CCc3ccccc3
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.
- 22402126#48502
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.027
- 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 · 24828465