Molecule card · MolClass #47974
24783084
24783084: 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
- 24783084Mitochondrial Fusion · compound_name
- MolClass ID
- 47974
- InChIKey
- ZGOMARBDDHWKEI-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c2onc(C(=O)NC1CCCCC1)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H19N3O4/c1-8(2)12-11(16(18)19)10(15-20-12)13(17)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,17)
- Stored Murcko scaffold
- n1occc1[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 98.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.894
- 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 · 24783084