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canSAR564824
FEATURES
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NAMES
    SMILES
    CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2nc(C)c(=O)cc2SCc2ccc(F)cc2)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
    InChI
    InChI=1S/C35H36F4N4O2S.C4H6O6/c1-3-41-18-16-31(17-19-41)42(21-25-4-8-27(9-5-25)28-10-12-29(13-11-28)35(37,38)39)33(45)22-43-34(20-32(44)24(2)40-43)46-23-26-6-14-30(36)15-7-26;5-1(3(7)8)2(6)4(9)10/h4-15,20,31H,3,16-19,21-23H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
    MOLECULAR FORMULA
    C39H42F4N4O8S
    CROSS REFERENCES
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    canSAR564824

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 802.27
    AlogP 5.06
    HBond donors 4
    HBond acceptors 12
    Atoms 98
    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 canSAR564824.