Molecule card · MolClass #41401
24823328
24823328: 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
- 24823328Mitochondrial Fusion · compound_name
- MolClass ID
- 41401
- InChIKey
- FADPNYDCLRRTPI-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C(=O)O)n3nc(c1ccccc1)c2cc(ccc23)Cl
- Standard InChI
- InChI=1S/C17H15ClN2O2/c1-2-14(17(21)22)20-15-9-8-12(18)10-13(15)16(19-20)11-6-4-3-5-7-11/h3-10,14H,2H2,1H3,(H,21,22)
- Stored Murcko scaffold
- n1[nH]c2ccccc2c1-c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.767 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.699
- 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 · 24823328