canSAR823693
FEATURES
Loading...
NAMES
    SMILES
    CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(CNCCN9CCOCC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32
    InChI
    InChI=1S/C53H70F2N6O9/c1-8-50-13-9-16-61-18-14-51(44(50)61)38-26-39(42(66-5)27-41(38)58(4)45(51)53(65,48(64)68-7)46(50)70-32(2)62)52(47(63)67-6)28-34-24-35(49(3,54)55)31-60(30-34)17-12-36-37-25-33(10-11-40(37)57-43(36)52)29-56-15-19-59-20-22-69-23-21-59/h9-11,13,25-27,34-35,44-46,56-57,65H,8,12,14-24,28-31H2,1-7H3/t34-,35-,44+,45-,46-,50-,51-,52+,53+/m1/s1
    MOLECULAR FORMULA
    C53H70F2N6O9
    CROSS REFERENCES
    Loading...
    canSAR823693
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight972.52
    AlogP4.54
    HBond donors3
    HBond acceptors15
    Atoms140
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823693.