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canSAR829224
FEATURES
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NAMES
    SMILES
    C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C
    InChI
    InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10-/t23-,24+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1
    MOLECULAR FORMULA
    C39H54O6
    CROSS REFERENCES
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    canSAR829224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.39
    AlogP 8.03
    HBond donors 3
    HBond acceptors 6
    Atoms 99
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829224.