Molecule card · MolClass #41561
17412765
17412765: 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
- 17412765Mitochondrial Fusion · compound_name
- MolClass ID
- 41561
- InChIKey
- SKCGRONYIUHFHF-UKRGKPDNSA-N
- Canonical SMILES
- COC(=O)C2=C(C)N=C(C)C(=C(O)OC)C2(C=Cc1ccccc1)
- Standard InChI
- InChI=1S/C19H21NO4/c1-12-16(18(21)23-3)15(11-10-14-8-6-5-7-9-14)17(13(2)20-12)19(22)24-4/h5-11,15,21H,1-4H3/b11-10+,18-16+
- Stored Murcko scaffold
- N=1C=CC([CH]C1)C=Cc2ccccc2
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.
- 17416034#30291
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 68.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.355
- 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 · 17412765