Molecule card · MolClass #42425
24819255
24819255: 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
- 24819255Mitochondrial Fusion · compound_name
- MolClass ID
- 42425
- InChIKey
- JBQMLOWLXLEWKA-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)n3cc(c1ccc(cc1)Cl)c(C(=O)O)c3(n2)
- Standard InChI
- InChI=1S/C16H13ClN2O2/c1-9-7-10(2)19-8-13(11-3-5-12(17)6-4-11)14(16(20)21)15(19)18-9/h3-8H,1-2H3,(H,20,21)
- Stored Murcko scaffold
- n1cccn2cc(cc12)-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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.74 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.532
- 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 · 24819255