Molecule card · MolClass #42773
14725284
14725284: 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
- 14725284Mitochondrial Fusion · compound_name
- MolClass ID
- 42773
- InChIKey
- XALUYDDXVNOHRQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OC2=CSC(N2(C(=O)c1ccccc1))=S)c3ccccc3
- Standard InChI
- InChI=1S/C17H11NO3S2/c19-15(12-7-3-1-4-8-12)18-14(11-23-17(18)22)21-16(20)13-9-5-2-6-10-13/h1-11H
- Stored Murcko scaffold
- O([CH]c1ccccc1)C2=CS[CH]N2[CH]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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 104 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.171
- 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 · 14725284