Molecule card · MolClass #36390
7973928
7973928: 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
- 7973928Mitochondrial Fusion · compound_name
- MolClass ID
- 36390
- InChIKey
- HRMVDGHIMMJLMB-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ncnc3c1SC(N3(c2ccccc2))=S
- Standard InChI
- InChI=1S/C11H7N3OS2/c15-10-8-9(12-6-13-10)14(11(16)17-8)7-4-2-1-3-5-7/h1-6H,(H,12,13,15)
- Stored Murcko scaffold
- n1cnc2c(S[CH]N2c3ccccc3)c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.742
- 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 · 7973928