Molecule card · MolClass #35582
14721359
14721359: 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
- 14721359Mitochondrial Fusion · compound_name
- MolClass ID
- 35582
- InChIKey
- NVXXLSOPXRVGII-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ncc(CCl)c2COC(C)(C)Oc12
- Standard InChI
- InChI=1S/C11H14ClNO2/c1-7-10-9(8(4-12)5-13-7)6-14-11(2,3)15-10/h5H,4,6H2,1-3H3
- Stored Murcko scaffold
- n1ccc2c(OCOC2)c1
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.
- 848189#25548
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.688 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.975
- 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 · 14721359