Molecule card · MolClass #36399
7967062
7967062: 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
- 7967062Mitochondrial Fusion · compound_name
- MolClass ID
- 36399
- InChIKey
- VGUXISDNHWIMSC-UHFFFAOYSA-N
- Canonical SMILES
- CCCSc2nnc1N=c4c(=Nn12)c3ccccc3n4(C)
- Standard InChI
- InChI=1S/C14H14N6S/c1-3-8-21-14-17-16-13-15-12-11(18-20(13)14)9-6-4-5-7-10(9)19(12)2/h4-7H,3,8H2,1-2H3
- Stored Murcko scaffold
- n1nc2N=c3[nH]c4ccccc4c3=Nn2c1
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
- 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
- 85.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.777
- 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 · 7967062