Molecule card · MolClass #38949
17510264
17510264: 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
- 17510264Mitochondrial Fusion · compound_name
- MolClass ID
- 38949
- InChIKey
- WPKLFIOBGGDNTN-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cccc(c1)N3C(=O)Nc2ccccc2N3(O)
- Standard InChI
- InChI=1S/C16H15N3O4/c1-2-23-15(20)11-6-5-7-12(10-11)18-16(21)17-13-8-3-4-9-14(13)19(18)22/h3-10,22H,2H2,1H3,(H,17,21)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]Nc3ccccc3N2
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
- 5
- 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
- 82.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.799
- 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 · 17510264