canSAR1604253
FEATURES
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NAMES
    SMILES
    CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(CC(=O)Nc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1
    InChI
    InChI=1S/C49H52N6O7/c1-54(47(60)24-28-55-26-22-38(23-27-55)62-49(61)52-42-16-6-5-15-39(42)35-11-3-2-4-12-35)37-14-8-10-34(30-37)31-46(59)51-36-13-7-9-33(29-36)21-25-50-32-44(57)40-17-19-43(56)48-41(40)18-20-45(58)53-48/h2-20,29-30,38,44,50,56-57H,21-28,31-32H2,1H3,(H,51,59)(H,52,61)(H,53,58)/t44-/m0/s1
    MOLECULAR FORMULA
    C49H52N6O7
    CROSS REFERENCES
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    canSAR1604253
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight836.39
    AlogP7.01
    HBond donors6
    HBond acceptors13
    Atoms114
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1604253.