Molecule card · MolClass #44480
4243838
4243838: 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
- 4243838Mitochondrial Fusion · compound_name
- MolClass ID
- 44480
- InChIKey
- RYVKKLCJCLBMGI-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nonc1c3nc2ccccc2n3(CCC(=O)O)
- Standard InChI
- InChI=1S/C12H11N5O3/c13-11-10(15-20-16-11)12-14-7-3-1-2-4-8(7)17(12)6-5-9(18)19/h1-4H,5-6H2,(H2,13,16)(H,18,19)
- Stored Murcko scaffold
- n1onc(c1)-c2nc3ccccc3[nH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.248 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.522
- 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 · 4243838