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canSAR1124277
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NAMES
    SMILES
    COc1cc(-c2ccc[nH]2)[nH]c1/C=C1\N=C(C)C(C(=O)CCCCC(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)=C1C
    InChI
    InChI=1S/C40H45N3O5/c1-23-32(21-34-36(47-4)22-33(43-34)31-8-7-19-41-31)42-24(2)39(23)35(44)9-5-6-10-38(46)48-26-12-14-27-25(20-26)11-13-29-28(27)17-18-40(3)30(29)15-16-37(40)45/h7-8,12,14,19-22,28-30,41,43H,5-6,9-11,13,15-18H2,1-4H3/b32-21-/t28-,29-,30+,40+/m1/s1
    MOLECULAR FORMULA
    C40H45N3O5
    CROSS REFERENCES
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    canSAR1124277

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 647.34
    AlogP 8.31
    HBond donors 2
    HBond acceptors 8
    Atoms 93
    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 canSAR1124277.