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canSAR2047797
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)Oc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2C3C(C)C)[nH]1)C(C)C
    InChI
    InChI=1S/C44H56N8O7/c1-23(2)36-28-15-13-27(31-22-46-40(48-31)33-12-10-18-52(33)42(54)38(25(5)6)50-44(56)58-8)20-35(28)59-34-16-14-26(19-29(34)36)30-21-45-39(47-30)32-11-9-17-51(32)41(53)37(24(3)4)49-43(55)57-7/h13-16,19-25,32-33,36-38H,9-12,17-18H2,1-8H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t32-,33-,36?,37-,38-/m0/s1
    MOLECULAR FORMULA
    C44H56N8O7
    CROSS REFERENCES
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    canSAR2047797

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 808.43
    AlogP 7.45
    HBond donors 4
    HBond acceptors 15
    Atoms 115
    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 canSAR2047797.