Molecule card · MolClass #39526
17408339
17408339: 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
- 17408339Mitochondrial Fusion · compound_name
- MolClass ID
- 39526
- InChIKey
- DZMBXEAGNIKWFQ-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c4ccccc4(C1Nc3cccc2cccc(N1)c23)
- Standard InChI
- InChI=1S/C17H13N3O2/c21-20(22)15-10-2-1-7-12(15)17-18-13-8-3-5-11-6-4-9-14(19-17)16(11)13/h1-10,17-19H
- Stored Murcko scaffold
- c1ccc(cc1)C2Nc3cccc4cccc(N2)c43
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.212
- 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 · 17408339