canSAR606061
FEATURES
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NAMES
    SMILES
    Cc1c(C#N)c(=O)[nH]c(=O)n1CCN1CCN(C(=O)NCCCCCCNC(=O)N2CCN(CCn3c(C)c(C#N)c(=O)[nH]c3=O)CC2)CC1
    InChI
    InChI=1S/C32H46N12O6/c1-23-25(21-33)27(45)37-31(49)43(23)19-13-39-9-15-41(16-10-39)29(47)35-7-5-3-4-6-8-36-30(48)42-17-11-40(12-18-42)14-20-44-24(2)26(22-34)28(46)38-32(44)50/h3-20H2,1-2H3,(H,35,47)(H,36,48)(H,37,45,49)(H,38,46,50)
    MOLECULAR FORMULA
    C32H46N12O6
    CROSS REFERENCES
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    canSAR606061
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight694.37
    AlogP-1.34
    HBond donors4
    HBond acceptors18
    Atoms96
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR606061.