I-APE
SMILES | C1=CC(=C(C=C1CCNC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)I)N |
InChIKey | AFFIAFORFZHTLX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 6 |
Rotatable bonds | 6 |
Molecular weight (Da) | 527.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |