Molecule card · MolClass #38400
24819612
24819612: 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
- 24819612Mitochondrial Fusion · compound_name
- MolClass ID
- 38400
- InChIKey
- ZDDQDAHTCZZNHC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2C(c1ccc(cc1)OC)N(C)OC2(O)C(F)(F)F
- Standard InChI
- InChI=1S/C15H18F3NO5/c1-4-23-13(20)11-12(9-5-7-10(22-3)8-6-9)19(2)24-14(11,21)15(16,17)18/h5-8,11-12,21H,4H2,1-3H3
- Stored Murcko scaffold
- O1NC(c2ccccc2)CC1
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.
- 24819600#30090
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.303 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.755
- 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 · 24819612