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canSAR2048720
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NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)NCc3cn(Cc4c(F)cccc4F)nn3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C40H56F2N4O3/c1-35(2)16-18-40(34(49)43-21-25-22-46(45-44-25)23-26-29(41)8-7-9-30(26)42)19-17-38(5)27(28(40)20-35)10-11-32-36(3)14-13-33(48)37(4,24-47)31(36)12-15-39(32,38)6/h7-10,22,28,31-33,47-48H,11-21,23-24H2,1-6H3,(H,43,49)/t28-,31+,32+,33-,36-,37-,38+,39+,40-/m0/s1
    MOLECULAR FORMULA
    C40H56F2N4O3
    CROSS REFERENCES
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    canSAR2048720

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 678.43
    AlogP 7.36
    HBond donors 3
    HBond acceptors 7
    Atoms 105
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048720.