Molecule card · MolClass #45611
24832043
24832043: 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
- 24832043Mitochondrial Fusion · compound_name
- MolClass ID
- 45611
- InChIKey
- TXQFMPMCUNJQBE-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)=NNc2nc(C)cc(O)n2
- Standard InChI
- InChI=1S/C13H19N5O3/c1-3-21-13(20)18-6-4-10(5-7-18)16-17-12-14-9(2)8-11(19)15-12/h8H,3-7H2,1-2H3,(H2,14,15,17,19)
- Stored Murcko scaffold
- n1cccnc1NN=C2CC[N]CC2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.566
- 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 · 24832043