Molecule card · MolClass #47939
17510135
17510135: 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
- 17510135Mitochondrial Fusion · compound_name
- MolClass ID
- 47939
- InChIKey
- OMOHDUGKQSTKSR-UHFFFAOYSA-N
- Canonical SMILES
- O=C1c3cccc(c3(C(=O)N1c2ccccc2))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H8N2O4/c17-13-10-7-4-8-11(16(19)20)12(10)14(18)15(13)9-5-2-1-3-6-9/h1-8H
- Stored Murcko scaffold
- c1ccc(cc1)-n2cc3ccccc3c2
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.
- LOPAC 00693#153
- 2301106#10372
- 1915529#12760
- 2054-0883#24629
- 852169#45991
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.592
- 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 · 17510135