Molecule card · MolClass #41720
4245664
4245664: 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
- 4245664Mitochondrial Fusion · compound_name
- MolClass ID
- 41720
- InChIKey
- DTMHHRFGFHOOKN-UHFFFAOYSA-N
- Canonical SMILES
- CCN1C(N)=C(C(=O)NC)SC1=S
- Standard InChI
- InChI=1S/C7H11N3OS2/c1-3-10-5(8)4(6(11)9-2)13-7(10)12/h3,8H2,1-2H3,(H,9,11)
- Stored Murcko scaffold
- n1cscc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.95
- 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 · 4245664