Molecule card · MolClass #51791
14728266
14728266: 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
- 14728266Mitochondrial Fusion · compound_name
- MolClass ID
- 51791
- InChIKey
- TTXHLRLFRMLKRI-FCDQGJHFSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=NO)c2oc3c(C)c4OC(=O)C=C(C)c4(cc3(c2(C)))
- Standard InChI
- InChI=1S/C22H19NO4/c1-11-5-7-15(8-6-11)19(23-25)22-13(3)17-10-16-12(2)9-18(24)26-20(16)14(4)21(17)27-22/h5-10,25H,1-4H3/b23-19+
- Stored Murcko scaffold
- O1[CH]C=Cc2cc3cc(oc3cc12)[CH]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.
- 1524034#18256
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.863
- 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 · 14728266