Molecule card · MolClass #51281
17386410
17386410: 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
- 17386410Mitochondrial Fusion · compound_name
- MolClass ID
- 51281
- InChIKey
- MEAZJYZPOWUZGB-UHFFFAOYSA-N
- Canonical SMILES
- CCCc1cc(cs1)c3nnc(n3(Cc2ccccc2))S
- Standard InChI
- InChI=1S/C16H17N3S2/c1-2-6-14-9-13(11-21-14)15-17-18-16(20)19(15)10-12-7-4-3-5-8-12/h3-5,7-9,11H,2,6,10H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1nc(-c2cscc2)n(c1)Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.432
- 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 · 17386410