Molecule card · MolClass #39287
864379
864379: 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
- 864379Mitochondrial Fusion · compound_name
- MolClass ID
- 39287
- InChIKey
- MPZGLIGNTRCCSC-UCFFOFKASA-N
- Canonical SMILES
- O=C(NCCc1cccc(F)c1)C2CSC3c4ccccc4(C(=O)N23)
- Standard InChI
- InChI=1S/C19H17FN2O2S/c20-13-5-3-4-12(10-13)8-9-21-17(23)16-11-25-19-15-7-2-1-6-14(15)18(24)22(16)19/h1-7,10,16,19H,8-9,11H2,(H,21,23)/t16-,19?/m0/s1
- Stored Murcko scaffold
- S1CC([CH]NCCc2ccccc2)N3[CH]c4ccccc4C13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.067
- 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 · 864379