Molecule card · MolClass #50706
17504007
17504007: 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
- 17504007Mitochondrial Fusion · compound_name
- MolClass ID
- 50706
- InChIKey
- SIZCWZXJPOEYFP-KEBDBYFISA-N
- Canonical SMILES
- Cc1ccc(cc1(C))n3nc(C)c(C=NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3(O)
- Standard InChI
- InChI=1S/C19H18N6O5/c1-11-4-5-14(8-12(11)2)23-19(26)16(13(3)22-23)10-20-21-17-7-6-15(24(27)28)9-18(17)25(29)30/h4-10,21,26H,1-3H3/b20-10+
- Stored Murcko scaffold
- N(=Cc1cnn(c1)-c2ccccc2)Nc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 148.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 410.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.183
- 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 · 17504007