canSAR1746526
FEATURES
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NAMES
    SMILES
    C=CCN1CC(=O)N2C(CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)C)CC6)nc5)cn(C)c34)C(=O)[C@@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1
    InChI
    InChI=1S/C47H54N10O5/c1-5-20-55-31-43(59)56-40(25-33-14-17-37(58)18-15-33)46(61)54(30-42(56)57(55)47(62)49-26-34-10-7-6-8-11-34)28-35-12-9-13-38-39(29-51(4)44(35)38)45(60)50-36-16-19-41(48-27-36)53-23-21-52(22-24-53)32(2)3/h5-19,27,29,32,40,42,58H,1,20-26,28,30-31H2,2-4H3,(H,49,62)(H,50,60)/t40-,42?/m0/s1
    MOLECULAR FORMULA
    C47H54N10O5
    CROSS REFERENCES
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    canSAR1746526
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight838.43
    AlogP4.80
    HBond donors3
    HBond acceptors15
    Atoms116
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746526.