Molecule card · MolClass #48194
856479
856479: 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
- 856479Mitochondrial Fusion · compound_name
- MolClass ID
- 48194
- InChIKey
- NYNZWVCNZOWMGG-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(Cc3c1C4=NCCN4(C=Nc1sc3(CS2)))
- Standard InChI
- InChI=1S/C13H15N3S2/c1-13(2)5-8-9(6-17-13)18-12-10(8)11-14-3-4-16(11)7-15-12/h7H,3-6H2,1-2H3
- Stored Murcko scaffold
- N1=CN2C(=NCC2)c3c1sc4c3CCSC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.283
- 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 · 856479