Molecule card · MolClass #50309
17517156
17517156: 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
- 17517156Mitochondrial Fusion · compound_name
- MolClass ID
- 50309
- InChIKey
- PZGFEDYHJMLVGX-UHFFFAOYSA-N
- Canonical SMILES
- Oc1cccc2c(cccc12)NC(Nc3ccc(cc3)SC(F)F)=S
- Standard InChI
- InChI=1S/C18H14F2N2OS2/c19-17(20)25-12-9-7-11(8-10-12)21-18(24)22-15-5-1-4-14-13(15)3-2-6-16(14)23/h1-10,17,23H,(H2,21,22,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2cccc3ccccc32
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.
- LOPAC 00070#348
- HTS 05109#80458
- AZM260#92267
- Cl.CCc1cccc(c1)N(C)C(=N)Nc1cccc2ccccc12#153603
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.345
- 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 · 17517156