Molecule card · MolClass #44205
24785337
24785337: 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
- 24785337Mitochondrial Fusion · compound_name
- MolClass ID
- 44205
- InChIKey
- HLVPSFQUWCTZKS-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)C(=O)c2c(N)no[n+]2([O-])
- Standard InChI
- InChI=1S/C10H15N5O5/c1-2-19-10(17)14-5-3-13(4-6-14)9(16)7-8(11)12-20-15(7)18/h2-6H2,1H3,(H2,11,12)
- Stored Murcko scaffold
- n1o[nH+]c(c1)[CH]N2CC[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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.037
- 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 · 24785337