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canSAR830019
FEATURES
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NAMES
    SMILES
    CCCC/C=C/C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)C2(CCC2)N(C)C(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C38H51FN6O8/c1-4-5-6-7-16-31(46)41-27(22-25-12-8-13-26(39)21-25)32(47)42-28-23-53-36(51)30-15-10-20-45(30)33(48)24(2)40-37(52)38(17-11-18-38)43(3)35(50)29-14-9-19-44(29)34(28)49/h7-8,12-13,16,21,24,27-30H,4-6,9-11,14-15,17-20,22-23H2,1-3H3,(H,40,52)(H,41,46)(H,42,47)/b16-7+/t24-,27-,28+,29-,30-/m0/s1
    MOLECULAR FORMULA
    C38H51FN6O8
    CROSS REFERENCES
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    canSAR830019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.38
    AlogP 1.51
    HBond donors 3
    HBond acceptors 14
    Atoms 104
    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 canSAR830019.