Molecule card · MolClass #51943
7977929
7977929: 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
- 7977929Mitochondrial Fusion · compound_name
- MolClass ID
- 51943
- InChIKey
- FCIVIQDVGOAENW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1c(F)c(F)c(c(F)c1(F))C(F)(F)F)Nc2ccc(c(c2)Cl)N3CCOCC3
- Standard InChI
- InChI=1S/C19H14ClF7N2O3/c20-10-7-9(1-2-11(10)29-3-5-31-6-4-29)28-12(30)8-32-18-16(23)14(21)13(19(25,26)27)15(22)17(18)24/h1-2,7H,3-6,8H2,(H,28,30)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]Nc2ccc(cc2)N3CCOCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 486.769 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.795
- 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 · 7977929