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canSAR115486
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CNC(=O)OCc1ccc(NC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)CCOCCOCCO)cc1)C[C@@H]3OC1CC(N)C(O)C(C)O1
    InChI
    InChI=1S/C61H75N7O20/c1-32(2)23-41(58(79)68-42(24-34-9-6-5-7-10-34)57(78)63-28-37(70)17-19-84-21-22-85-20-18-69)67-46(72)30-64-59(80)66-36-15-13-35(14-16-36)31-86-60(81)65-29-45(71)61(82)26-39-49(44(27-61)88-47-25-40(62)52(73)33(3)87-47)56(77)51-50(54(39)75)53(74)38-11-8-12-43(83-4)48(38)55(51)76/h5-16,32-33,40-42,44,47,52,69,73,75,77,82H,17-31,62H2,1-4H3,(H,63,78)(H,65,81)(H,67,72)(H,68,79)(H2,64,66,80)/t33?,40?,41?,42?,44-,47?,52?,61-/m0/s1
    MOLECULAR FORMULA
    C61H75N7O20
    CROSS REFERENCES
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    canSAR115486

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1225.51
    AlogP 1.42
    HBond donors 13
    HBond acceptors 27
    Atoms 163
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR115486.