Molecule card · MolClass #44748
14729444
14729444: 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
- 14729444Mitochondrial Fusion · compound_name
- MolClass ID
- 44748
- InChIKey
- COSPWTAAFRFUFT-ATVHPVEESA-N
- Canonical SMILES
- Cc1c(C#N)c(ns1)S(=O)(=O)C(C#N)=NNc2ccccc2
- Standard InChI
- InChI=1S/C13H9N5O2S2/c1-9-11(7-14)13(18-21-9)22(19,20)12(8-15)17-16-10-5-3-2-4-6-10/h2-6,16H,1H3/b17-12-
- Stored Murcko scaffold
- n1sccc1SC=NNc2ccccc2
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.
- 1907974#17747
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 155.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.336
- 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 · 14729444