compound 3a [PMID: 21444206]
SMILES | O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C |
InChIKey | LZCNLEZPKDPKSO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 473.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |