Molecule card · MolClass #43276
17505504
17505504: 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
- 17505504Mitochondrial Fusion · compound_name
- MolClass ID
- 43276
- InChIKey
- SJLWNMWRQDBZIZ-OMCISZLKSA-N
- Canonical SMILES
- CN3C(=O)c2ncn(CC(=O)NN=Cc1ccco1)c2N(C)C3(=O)
- Standard InChI
- InChI=1S/C14H14N6O4/c1-18-12-11(13(22)19(2)14(18)23)15-8-20(12)7-10(21)17-16-6-9-4-3-5-24-9/h3-6,8H,7H2,1-2H3,(H,17,21)/b16-6+
- Stored Murcko scaffold
- n1cnc2c(ncn2C[CH]NN=Cc3occc3)c1
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
- 8
- 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
- 113.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.299 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.286
- 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 · 17505504