 |
| Ligand Name:
6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE |
| HET ID: PNU |
PubChem:
446309
|
| DrugBank: DB08414 |
ChEMBL: CHEMBL280541 |
| Canonical SMILES: Nc1nc(nc(c1)Cl)S[C@H](c1ncc2c(c1)cco2)C |
| Standard InChI: InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1 |
| Molecular Formula: C13H11ClN4OS |
Mol. Weight: 306.77063 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: True |
logP: 4.2879 |
| HBD: 1 |
HBA: 6 |
TPSA: 103.13 |
| #Bonds: 23 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.15384616 |
| Stereocomplexity: 0.07692308 |
Ligand Type: Small Molecule |