Molecule card · MolClass #39958
4254920
4254920: 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
- 4254920Mitochondrial Fusion · compound_name
- MolClass ID
- 39958
- InChIKey
- QJNIUEGABTZNDU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(c1cccnc1)c(C#N)c(n2)SCC#N
- Standard InChI
- InChI=1S/C14H10N4S/c1-10-7-12(11-3-2-5-17-9-11)13(8-16)14(18-10)19-6-4-15/h2-3,5,7,9H,6H2,1H3
- Stored Murcko scaffold
- n1ccc(cc1)-c2cnccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.555
- 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 · 4254920