AS95
SMILES | CCCn1c2=N/C(=c\3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC |
InChIKey | GZUUJTYJVPFFTI-SILNSSARSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 509.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |