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canSAR2000561
FEATURES
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NAMES
    SMILES
    CCC(=O)CCCCCc1[nH]c(O)c2n(c(O)c([C@@H](C)CC)[nH]c(=O)c(C(O)c3ccc4c(ccn4C)c3)nc1O)CCCC2
    InChI
    InChI=1S/C34H47N5O6/c1-5-21(3)28-34(45)39-18-11-10-14-27(39)32(43)35-25(13-9-7-8-12-24(40)6-2)31(42)37-29(33(44)36-28)30(41)23-15-16-26-22(20-23)17-19-38(26)4/h15-17,19-21,30,35,41-43,45H,5-14,18H2,1-4H3,(H,36,44)/b31-25+,32-27+,34-28+,37-29?/t21-,30?/m0/s1
    MOLECULAR FORMULA
    C34H47N5O6
    CROSS REFERENCES
    2000561 logo

    canSAR2000561

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.35
    AlogP 5.77
    HBond donors 6
    HBond acceptors 11
    Atoms 92
    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 canSAR2000561.