Molecule card · MolClass #38111
17431512
17431512: 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
- 17431512Mitochondrial Fusion · compound_name
- MolClass ID
- 38111
- InChIKey
- SNVSWEBYYVWBGR-GZTJUZNOSA-N
- Canonical SMILES
- CC(=O)n4cc(C=C1N=C(OC1(=O))c2ccccc2)c3ccccc34
- Standard InChI
- InChI=1S/C20H14N2O3/c1-13(23)22-12-15(16-9-5-6-10-18(16)22)11-17-20(24)25-19(21-17)14-7-3-2-4-8-14/h2-12H,1H3/b17-11+
- Stored Murcko scaffold
- [N]1C=C(C=C2N=C(O[CH]2)c3ccccc3)c4ccccc14
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.22
- 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 · 17431512