canSAR1083690
FEATURES
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NAMES
    SMILES
    CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)C1(CC=C(C)C)OC[C@@H]3[C@H]4CN1CCC(=O)CC1)C2=O
    InChI
    InChI=1S/C32H37NO7/c1-17(2)5-6-20-25(35)14-26(36)27-28(37)23-13-21-22(15-33-11-8-19(34)9-12-33)24-16-39-31(30(21)38,10-7-18(3)4)32(23,24)40-29(20)27/h5,7,13-14,21-22,24,35-36H,6,8-12,15-16H2,1-4H3/t21-,22+,24-,31?,32-/m1/s1
    MOLECULAR FORMULA
    C32H37NO7
    CROSS REFERENCES
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    canSAR1083690
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight547.26
    AlogP4.08
    HBond donors2
    HBond acceptors8
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083690.