compound 2 [PMID: 21939274]
SMILES | N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N |
InChIKey | TXALYVIWRLTFFP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 412.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |