Molecule card · MolClass #48531
24822137
24822137: 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
- 24822137Mitochondrial Fusion · compound_name
- MolClass ID
- 48531
- InChIKey
- ZURDCXIHCGLSFE-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)Cc2ccc(C(=O)c1ccccc1(F))s2
- Standard InChI
- InChI=1S/C13H10FNO2S/c14-10-4-2-1-3-9(10)13(17)11-6-5-8(18-11)7-12(15)16/h1-6H,7H2,(H2,15,16)
- Stored Murcko scaffold
- s1cccc1[CH]c2ccccc2
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.
- Suprofen#1356
- Tiaprofenic acid#1706
- SUPROFEN METHYL ESTER#2296
- 40180-04-9#2667
- 24822218#46155
- 24805557#46214
- 14742293#47912
- 14730265#48485
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
- 88.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.123
- 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 · 24822137