AS96
SMILES | C=CCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C |
InChIKey | ZGPHNPBSZODLNU-GFMRDNFCSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 530.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |