Molecule card · MolClass #1786
Azacytidine-5
Azacytidine-5: 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
- Azacytidine-5Flucanozole Synergizer · compound_name
- MolClass ID
- 1786
- InChIKey
- NMUSYJAQQFHJEW-JDJSBBGDSA-N
- Canonical SMILES
- NC=1N=CN(C(=O)N=1)C2OC(CO)C(O)C2(O)
- Standard InChI
- InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6?/m1/s1
- Stored Murcko scaffold
- N1=CN=CN([CH]1)C2OCCC2
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.
- LOPAC 00652#146
- 320-67-2#8901
- 103771112#25154
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 140.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.205 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.892
- 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.
Flucanozole Synergizer
Dataset #3 · Azacytidine-5