Molecule card · MolClass #50518
17510587
17510587: 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
- 17510587Mitochondrial Fusion · compound_name
- MolClass ID
- 50518
- InChIKey
- LINWIPCQVLRCQC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=3c4ccccc4(C(=O)OC=3(C(=O)NCc2ccc(F)cc2))
- Standard InChI
- InChI=1S/C24H18FNO3/c1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)24(28)29-22(21)23(27)26-14-16-8-12-18(25)13-9-16/h2-13H,14H2,1H3,(H,26,27)
- Stored Murcko scaffold
- O1[CH]c2ccccc2C(=C1[CH]NCc3ccccc3)c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 387.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.67
- 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 · 17510587