Molecule card · MolClass #37404
14742849
14742849: 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
- 14742849Mitochondrial Fusion · compound_name
- MolClass ID
- 37404
- InChIKey
- ZYJFTUZFDDQOJY-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C3=C(N)OC=1C(=O)C=C(CO)OC=1C3(c2ccccc2(F))
- Standard InChI
- InChI=1S/C17H14FNO6/c1-23-17(22)13-12(9-4-2-3-5-10(9)18)15-14(25-16(13)19)11(21)6-8(7-20)24-15/h2-6,12,20H,7,19H2,1H3
- Stored Murcko scaffold
- O1C=CC(c2ccccc2)C=3OC=C[CH]C13
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.538
- 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 · 14742849