Molecule card · MolClass #37557
14742609
14742609: 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
- 14742609Mitochondrial Fusion · compound_name
- MolClass ID
- 37557
- InChIKey
- YCVJURGFNFNXHM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c(c1)CC3(CN2(C))(C(=O)OC(C)(C)OC3(=O))
- Standard InChI
- InChI=1S/C16H19NO4/c1-10-5-6-12-11(7-10)8-16(9-17(12)4)13(18)20-15(2,3)21-14(16)19/h5-7H,8-9H2,1-4H3
- Stored Murcko scaffold
- O1[CH]C2([CH]OC1)CNc3ccccc3C2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.069
- 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 · 14742609