Molecule card · MolClass #50803
17431855
17431855: 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
- 17431855Mitochondrial Fusion · compound_name
- MolClass ID
- 50803
- InChIKey
- TZFOTTXTXLNUMU-UHFFFAOYSA-N
- Canonical SMILES
- CCC(C)c1ccc(cc1)NC(=O)COc2c(F)c(F)c(c(F)c2(F))C(F)(F)F
- Standard InChI
- InChI=1S/C19H16F7NO2/c1-3-9(2)10-4-6-11(7-5-10)27-12(28)8-29-18-16(22)14(20)13(19(24,25)26)15(21)17(18)23/h4-7,9H,3,8H2,1-2H3,(H,27,28)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.218
- 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 · 17431855