Molecule card · MolClass #36930
22404932
22404932: 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
- 22404932Mitochondrial Fusion · compound_name
- MolClass ID
- 36930
- InChIKey
- QOOFMAWDIGLTDY-UYRXBGFRSA-N
- Canonical SMILES
- COc1cccc(c1)NN=C2C(=O)NN3C(=O)C=4CCCC=4(N=C23)
- Standard InChI
- InChI=1S/C16H15N5O3/c1-24-10-5-2-4-9(8-10)18-19-13-14-17-12-7-3-6-11(12)16(23)21(14)20-15(13)22/h2,4-5,8,18H,3,6-7H2,1H3,(H,20,22)/b19-13-
- Stored Murcko scaffold
- N(Nc1ccccc1)=C2[CH]NN3[CH]C4=C(N=C23)CCC4
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.
- 22412582#37842
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.63
- 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 · 22404932