compound 3 [PMID: 21310611]
SMILES | O=C(Cc1c(F)ccc(c1F)F)NC[C@H](C1CCN(CC1)C(=O)OC1(C)CC1)F |
InChIKey | QCIKTRZVLCLGFT-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 416.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |