Molecule card · MolClass #44315
17510100
17510100: 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
- 17510100Mitochondrial Fusion · compound_name
- MolClass ID
- 44315
- InChIKey
- WUHQPPOOHPMQMH-RVDMUPIBSA-N
- Canonical SMILES
- C=CCSC3=NC(=Cc1ccsc1)C(=O)N3(c2ccccc2)
- Standard InChI
- InChI=1S/C17H14N2OS2/c1-2-9-22-17-18-15(11-13-8-10-21-12-13)16(20)19(17)14-6-4-3-5-7-14/h2-8,10-12H,1,9H2/b15-11+
- Stored Murcko scaffold
- N1=CN([CH]C1=Cc2cscc2)c3ccccc3
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.
- 17510344#35017
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.459
- 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 · 17510100