Molecule card · MolClass #44482
14745250
14745250: 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
- 14745250Mitochondrial Fusion · compound_name
- MolClass ID
- 44482
- InChIKey
- MMPILIGFYZPDES-UHFFFAOYSA-N
- Canonical SMILES
- CCn2c(C)nc1cc(ccc12)C(=O)n3cc(cn3)C(=O)c4ccccc4(O)
- Standard InChI
- InChI=1S/C21H18N4O3/c1-3-24-13(2)23-17-10-14(8-9-18(17)24)21(28)25-12-15(11-22-25)20(27)16-6-4-5-7-19(16)26/h4-12,26H,3H2,1-2H3
- Stored Murcko scaffold
- n1c[nH]c2ccc(cc12)[CH]n3ncc([CH]c4ccccc4)c3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.393 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.829
- 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 · 14745250