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canSAR1125554
FEATURES
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NAMES
    SMILES
    O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c(-c2ccccc2)s1
    InChI
    InChI=1S/C43H35FN4O5S/c44-35-21-18-31(24-34(35)43(51)52)46-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(47-38(49)22-17-30-25-45-36-14-8-7-13-33(30)36)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-16,18-21,24-25,37,45H,17,22-23,26H2,(H,46,50)(H,47,49)(H,51,52)/t37-/m0/s1
    MOLECULAR FORMULA
    C43H35FN4O5S
    CROSS REFERENCES
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    canSAR1125554

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.23
    AlogP 8.99
    HBond donors 4
    HBond acceptors 9
    Atoms 89
    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 canSAR1125554.