Molecule card · MolClass #36744
24707954
24707954: 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
- 24707954Mitochondrial Fusion · compound_name
- MolClass ID
- 36744
- InChIKey
- ZQYIOOZQRCSYHC-LWKPJOBUSA-N
- Canonical SMILES
- NC(Cc1ccc(O)cc1)c2cn(nn2)C(CCC(=O)O)C(=O)N3CCNCC3
- Standard InChI
- InChI=1S/C19H26N6O4/c20-15(11-13-1-3-14(26)4-2-13)16-12-25(23-22-16)17(5-6-18(27)28)19(29)24-9-7-21-8-10-24/h1-4,12,15,17,21,26H,5-11,20H2,(H,27,28)/t15?,17-/m0/s1
- Stored Murcko scaffold
- n1nn(cc1CCc2ccccc2)C[CH]N3CCNCC3
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.
- 24708152#36553
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 146.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.621
- 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 · 24707954