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canSAR1155587
FEATURES
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NAMES
    SMILES
    CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
    InChI
    InChI=1S/C52H66N4O6/c1-55-29-25-35-15-11-17-39-47(35)41(55)33-37-21-23-43(51(59)49(37)39)61-31-13-27-53-45(57)19-9-7-5-3-4-6-8-10-20-46(58)54-28-14-32-62-44-24-22-38-34-42-48-36(26-30-56(42)2)16-12-18-40(48)50(38)52(44)60/h11-12,15-18,21-24,41-42,59-60H,3-10,13-14,19-20,25-34H2,1-2H3,(H,53,57)(H,54,58)/t41-,42-/m1/s1
    MOLECULAR FORMULA
    C52H66N4O6
    CROSS REFERENCES
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    canSAR1155587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 842.50
    AlogP 8.97
    HBond donors 4
    HBond acceptors 10
    Atoms 128
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1155587.