Molecule card · MolClass #43728
17504084
17504084: 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
- 17504084Mitochondrial Fusion · compound_name
- MolClass ID
- 43728
- InChIKey
- RFDATBVTFREXAW-REZTVBANSA-N
- Canonical SMILES
- Cc2ncc(CO)c(C=NNC(=O)c1ccc(O)cc1)c2(O)
- Standard InChI
- InChI=1S/C15H15N3O4/c1-9-14(21)13(11(8-19)6-16-9)7-17-18-15(22)10-2-4-12(20)5-3-10/h2-7,19-21H,8H2,1H3,(H,18,22)/b17-7+
- Stored Murcko scaffold
- n1ccc(C=NN[CH]c2ccccc2)cc1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.434
- 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 · 17504084