canSAR1746281
FEATURES
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NAMES
    SMILES
    C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(Cc5c[nH]c6ccccc56)NC(=O)[C@]2(C(=O)CCC(=O)C1=O)[C@H]4[C@@H]3C
    InChI
    InChI=1S/C32H36N2O6/c1-17-8-7-10-22-28(38)30(4)19(3)27-31(40-30,15-20-16-33-23-11-6-5-9-21(20)23)34-29(39)32(22,27)25(36)13-12-24(35)26(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,27-28,33,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,19-,22-,27-,28-,30-,31+,32+/m0/s1
    MOLECULAR FORMULA
    C32H36N2O6
    CROSS REFERENCES
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    canSAR1746281
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight544.26
    AlogP3.58
    HBond donors3
    HBond acceptors8
    Atoms76
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746281.