Molecule card · MolClass #38787
14727974
14727974: 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
- 14727974Mitochondrial Fusion · compound_name
- MolClass ID
- 38787
- InChIKey
- BDKBIMABHDDMHK-UHFFFAOYSA-N
- Canonical SMILES
- OC=4C=C(c1cccs1)N(c2ccccc2)C(=O)C=4(Cc3ccccc3)
- Standard InChI
- InChI=1S/C22H17NO2S/c24-20-15-19(21-12-7-13-26-21)23(17-10-5-2-6-11-17)22(25)18(20)14-16-8-3-1-4-9-16/h1-13,15,24H,14H2
- Stored Murcko scaffold
- s1cccc1C2=CC=C([CH]N2c3ccccc3)Cc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.239
- 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 · 14727974