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canSAR984690
FEATURES
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NAMES
    SMILES
    C#CCCCC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)OC[C@@H](C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
    InChI
    InChI=1S/C45H58N2O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-42(48)46-37(3)36-52-45(51)41(47-43(49)29-23-7-5-2)35-38-31-33-40(34-32-38)44(50)39-27-24-22-25-28-39/h2,10-11,13-14,16-17,19-20,22,24-25,27-28,31-34,37,41H,4,6-9,12,15,18,21,23,26,29-30,35-36H2,1,3H3,(H,46,48)(H,47,49)/b11-10-,14-13-,17-16-,20-19-/t37-,41+/m1/s1
    MOLECULAR FORMULA
    C45H58N2O5
    CROSS REFERENCES
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    canSAR984690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 706.43
    AlogP 8.94
    HBond donors 2
    HBond acceptors 7
    Atoms 110
    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 canSAR984690.