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canSAR1593541
FEATURES
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NAMES
    SMILES
    O=C1N=C(S)SC1=Cc1ccc(C(=O)NC[C@@H]2C[C@@H](OCc3ccccc3-c3ccccc3)CN2C(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1
    InChI
    InChI=1S/C43H34FN3O5S2/c44-32-20-18-29(19-21-32)39(48)36-12-6-7-13-37(36)42(51)47-25-34(52-26-31-10-4-5-11-35(31)28-8-2-1-3-9-28)23-33(47)24-45-40(49)30-16-14-27(15-17-30)22-38-41(50)46-43(53)54-38/h1-22,33-34H,23-26H2,(H,45,49)(H,46,50,53)/t33-,34+/m0/s1
    MOLECULAR FORMULA
    C43H34FN3O5S2
    CROSS REFERENCES
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    canSAR1593541

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 755.19
    AlogP 7.85
    HBond donors 1
    HBond acceptors 8
    Atoms 88
    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 canSAR1593541.