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canSAR2021019
FEATURES
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NAMES
    SMILES
    COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC2CCOCC2)CC1
    InChI
    InChI=1S/C38H44FN7O6/c1-24-20-25(10-13-40-24)35-29-21-26(6-8-32(29)42-43-35)36(47)41-27-7-9-33(46(22-27)23-30-31(39)4-3-5-34(30)50-2)37(48)44-14-16-45(17-15-44)38(49)52-28-11-18-51-19-12-28/h3-6,8,10,13,20-21,27-28,33H,7,9,11-12,14-19,22-23H2,1-2H3,(H,41,47)(H,42,43)/t27-,33+/m1/s1
    MOLECULAR FORMULA
    C38H44FN7O6
    CROSS REFERENCES
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    canSAR2021019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 713.33
    AlogP 4.30
    HBond donors 2
    HBond acceptors 13
    Atoms 96
    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 canSAR2021019.