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canSAR1014548
FEATURES
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NAMES
    SMILES
    CC(C(=O)OCCCOP(=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1
    InChI
    InChI=1S/C39H45N6O8PS/c1-28(31-15-8-16-32(24-31)35(46)30-13-6-3-7-14-30)38(47)51-18-9-19-52-54(49,27-50-21-17-45-26-44-34-36(41)42-25-43-37(34)45)53-20-10-22-55-39(48)33(40)23-29-11-4-2-5-12-29/h2-8,11-16,24-26,28,33H,9-10,17-23,27,40H2,1H3,(H2,41,42,43)/t28?,33-,54?/m0/s1
    MOLECULAR FORMULA
    C39H45N6O8PS
    CROSS REFERENCES
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    canSAR1014548

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 788.28
    AlogP 5.80
    HBond donors 4
    HBond acceptors 14
    Atoms 100
    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 canSAR1014548.