Molecule card · MolClass #38942
14742776
14742776: 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
- 14742776Mitochondrial Fusion · compound_name
- MolClass ID
- 38942
- InChIKey
- MXDCGZCKLCYHQR-BUSXIPJBSA-N
- Canonical SMILES
- O=C(NCc1ccccc1)C3CSC4c2ccccc2C(=O)N34
- Standard InChI
- InChI=1S/C18H16N2O2S/c21-16(19-10-12-6-2-1-3-7-12)15-11-23-18-14-9-5-4-8-13(14)17(22)20(15)18/h1-9,15,18H,10-11H2,(H,19,21)/t15-,18?/m0/s1
- Stored Murcko scaffold
- S1CC([CH]NCc2ccccc2)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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.748
- 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 · 14742776