Molecule card · MolClass #42358
17409216
17409216: 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
- 17409216Mitochondrial Fusion · compound_name
- MolClass ID
- 42358
- InChIKey
- LTEXAOXVPRQIQP-UHFFFAOYSA-N
- Canonical SMILES
- Oc2nc3ccc(cc3(c(O)c2(c1ccccc1)))Cl
- Standard InChI
- InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)14(18)13(15(19)17-12)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19)
- Stored Murcko scaffold
- n1cc(cc2ccccc12)-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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.699 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.603
- 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 · 17409216