Molecule card · MolClass #43721
14744671
14744671: 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
- 14744671Mitochondrial Fusion · compound_name
- MolClass ID
- 43721
- InChIKey
- ZQOIHLKVRVNJPV-UHFFFAOYSA-N
- Canonical SMILES
- C=CCN1C(=O)c3cc(CC)sc3(N=C1SC2CCOC2(=O))
- Standard InChI
- InChI=1S/C15H16N2O3S2/c1-3-6-17-13(18)10-8-9(4-2)21-12(10)16-15(17)22-11-5-7-20-14(11)19/h3,8,11H,1,4-7H2,2H3
- Stored Murcko scaffold
- n1cc2ccsc2nc1SC3[CH]OCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.426
- 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 · 14744671