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canSAR168677
FEATURES
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NAMES
    SMILES
    O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1
    InChI
    InChI=1S/C29H36FN5O2/c30-24-7-2-6-22(15-24)25-18-35(27(28(36)37)14-20-4-1-5-20)17-23(25)16-33-12-8-21(9-13-33)26-19-34-11-3-10-31-29(34)32-26/h2-3,6-7,10-11,15,19-21,23,25,27H,1,4-5,8-9,12-14,16-18H2,(H,36,37)/t23-,25+,27+/m0/s1
    MOLECULAR FORMULA
    C29H36FN5O2
    CROSS REFERENCES
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    canSAR168677

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.29
    AlogP 4.41
    HBond donors 1
    HBond acceptors 7
    Atoms 73
    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 canSAR168677.