Molecule card · MolClass #38079
24707945
24707945: 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
- 24707945Mitochondrial Fusion · compound_name
- MolClass ID
- 38079
- InChIKey
- DYFHYFBYTNLOBT-QWRGUYRKSA-N
- Canonical SMILES
- CN(C)C(CO)c1nnc(o1)C(CC(=O)O)NC(=O)C2CCNCC2
- Standard InChI
- InChI=1S/C15H25N5O5/c1-20(2)11(8-21)15-19-18-14(25-15)10(7-12(22)23)17-13(24)9-3-5-16-6-4-9/h9-11,16,21H,3-8H2,1-2H3,(H,17,24)(H,22,23)/t10-,11-/m0/s1
- Stored Murcko scaffold
- n1nc(oc1)CN[CH]C2CCNCC2
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 140.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.035
- 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 · 24707945