Molecule card · MolClass #14952
2069216
2069216: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7969637Mitochondrial Fusion · compound_name
- MolClass ID
- 14952
- InChIKey
- LZHOGGNPJVKSLR-UHFFFAOYSA-N
- Canonical SMILES
- Oc3c(C(c1ccccc1)N2CCCCC2)sc4ncnn34
- Standard InChI
- InChI=1S/C16H18N4OS/c21-15-14(22-16-17-11-18-20(15)16)13(12-7-3-1-4-8-12)19-9-5-2-6-10-19/h1,3-4,7-8,11,13,21H,2,5-6,9-10H2
- Stored Murcko scaffold
- n1cnn2cc(sc12)C(c3ccccc3)N4CCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.896
- 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.
Auto-fluorescence Prediction
Dataset #13 · 2069216
Mitochondrial Fusion
Dataset #19 · 7969637