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canSAR668482
FEATURES
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NAMES
    SMILES
    C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4c(c2C[C@@]3(O)[C@H]1C5)C[C@@]1(O)[C@H]2Cc3ccc(O)c5c3[C@@]1(CCN2CC=C)[C@H]4O5
    InChI
    InChI=1S/C38H39N3O6/c1-3-11-40-13-9-35-27-19-5-7-23(42)31(27)46-33(35)29-21(17-37(35,44)25(40)15-19)22-18-38(45)26-16-20-6-8-24(43)32-28(20)36(38,10-14-41(26)12-4-2)34(47-32)30(22)39-29/h3-8,25-26,33-34,39,42-45H,1-2,9-18H2/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1
    MOLECULAR FORMULA
    C38H39N3O6
    CROSS REFERENCES
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    canSAR668482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 633.28
    AlogP 3.38
    HBond donors 5
    HBond acceptors 9
    Atoms 86
    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 canSAR668482.