Molecule card · MolClass #43099
17511480
17511480: 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
- 17511480Mitochondrial Fusion · compound_name
- MolClass ID
- 43099
- InChIKey
- JTEBEYGQDZXVTM-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(F))c4coc3cc5OC(=O)c2ccccc2c5(cc34)
- Standard InChI
- InChI=1S/C22H13FO4/c1-25-19-7-6-12(8-18(19)23)17-11-26-20-10-21-15(9-16(17)20)13-4-2-3-5-14(13)22(24)27-21/h2-11H,1H3
- Stored Murcko scaffold
- O1[CH]c2ccccc2-c3cc4c(occ4-c5ccccc5)cc13
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.419
- 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 · 17511480