Molecule card · MolClass #41705
17510767
17510767: 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
- 17510767Mitochondrial Fusion · compound_name
- MolClass ID
- 41705
- InChIKey
- JMRIYJLBUKQIEN-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2nnn(CC(=O)NC(=O)Nc1ccccc1)c2(C(=O)OC)
- Standard InChI
- InChI=1S/C15H15N5O6/c1-25-13(22)11-12(14(23)26-2)20(19-18-11)8-10(21)17-15(24)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,16,17,21,24)
- Stored Murcko scaffold
- n1nn(cc1)C[CH]N[CH]Nc2ccccc2
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
- 10
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 141.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.115
- 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 · 17510767