Molecule card · MolClass #36014
17387189
17387189: 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
- 17387189Mitochondrial Fusion · compound_name
- MolClass ID
- 36014
- InChIKey
- BEASEFJNKGANKI-UHFFFAOYSA-N
- Canonical SMILES
- CN2CC3(CC=C(Oc1ccccc1)C(C2)(C3)[N+](=O)[O-])[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H17N3O5/c1-16-10-14(17(19)20)8-7-13(15(9-14,11-16)18(21)22)23-12-5-3-2-4-6-12/h2-7H,8-11H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1)C2=CCC3CNCC2C3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.922
- 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 · 17387189