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canSAR2051314
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OC(c2cccc(OCC(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C
    InChI
    InChI=1S/C53H63N9O8/c1-29(2)28-69-36-13-9-12-34(23-36)51-62-40-19-17-32(38-26-54-47(56-38)41-14-10-20-60(41)49(63)45(30(3)4)58-52(65)67-7)22-35(40)24-43(62)37-18-16-33(25-44(37)70-51)39-27-55-48(57-39)42-15-11-21-61(42)50(64)46(31(5)6)59-53(66)68-8/h9,12-13,16-19,22-27,29-31,41-42,45-46,51H,10-11,14-15,20-21,28H2,1-8H3,(H,54,56)(H,55,57)(H,58,65)(H,59,66)/t41-,42-,45-,46-,51?/m0/s1
    MOLECULAR FORMULA
    C53H63N9O8
    CROSS REFERENCES
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    canSAR2051314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 953.48
    AlogP 9.15
    HBond donors 4
    HBond acceptors 17
    Atoms 133
    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 canSAR2051314.