Molecule card · MolClass #47375
17431564
17431564: 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
- 17431564Mitochondrial Fusion · compound_name
- MolClass ID
- 47375
- InChIKey
- FRMWPDYHAMVPCH-FNCQTZNRSA-N
- Canonical SMILES
- CN3CCSC3(=CC=C2C(=O)N(Cc1ccccc1)C(=S)S2)
- Standard InChI
- InChI=1S/C16H16N2OS3/c1-17-9-10-21-14(17)8-7-13-15(19)18(16(20)22-13)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/b13-7+,14-8+
- Stored Murcko scaffold
- S1[CH]N([CH]C1=CC=C2SCCN2)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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 106.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.51 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.024
- 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 · 17431564