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canSAR2018511
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC3CCN(C4CCCC4)C3)cnn2-c2ccccc2Cl)CC1
    InChI
    InChI=1S/C30H42ClN5O3/c1-30(2,3)39-29(38)34-16-13-22(14-17-34)27-24(19-33-36(27)26-11-7-6-10-25(26)31)28(37)32-18-21-12-15-35(20-21)23-8-4-5-9-23/h6-7,10-11,19,21-23H,4-5,8-9,12-18,20H2,1-3H3,(H,32,37)
    MOLECULAR FORMULA
    C30H42ClN5O3
    CROSS REFERENCES
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    canSAR2018511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.30
    AlogP 5.63
    HBond donors 1
    HBond acceptors 8
    Atoms 81
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2018511.