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canSAR1157149
FEATURES
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NAMES
    SMILES
    Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(C(=O)N4CCC4=O)cc3)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
    InChI
    InChI=1S/C58H83F2N9O8/c1-44-62-64-54(69(44)52-39-50-20-21-51(40-52)67(50)29-24-53(46-13-9-8-10-14-46)61-56(71)47-22-26-58(59,60)27-23-47)15-11-6-4-2-3-5-7-12-28-66-41-49(63-65-66)43-77-38-36-75-34-32-73-31-33-74-35-37-76-42-45-16-18-48(19-17-45)57(72)68-30-25-55(68)70/h8-10,13-14,16-19,41,47,50-53H,2-7,11-12,15,20-40,42-43H2,1H3,(H,61,71)/t50?,51?,52?,53-/m0/s1
    MOLECULAR FORMULA
    C58H83F2N9O8
    CROSS REFERENCES
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    canSAR1157149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1071.63
    AlogP 8.94
    HBond donors 1
    HBond acceptors 17
    Atoms 160
    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 canSAR1157149.