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canSAR837191
FEATURES
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NAMES
    SMILES
    C=C(CCC(C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C
    InChI
    InChI=1S/C32H48O5/c1-19(2)21(5)10-11-22(29(35)36)28-26(33)18-32(8)25-13-12-23(20(3)4)30(6,16-15-27(34)37-9)24(25)14-17-31(28,32)7/h13-14,19,22-23,26,28,33H,3,5,10-12,15-18H2,1-2,4,6-9H3,(H,35,36)/t22?,23-,26+,28-,30-,31+,32-/m0/s1
    MOLECULAR FORMULA
    C32H48O5
    CROSS REFERENCES
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    canSAR837191

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.35
    AlogP 6.88
    HBond donors 2
    HBond acceptors 5
    Atoms 85
    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 canSAR837191.