canSAR823833
FEATURES
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NAMES
    SMILES
    CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1ccccn1
    InChI
    InChI=1S/C36H53N5O2/c1-28-23-29-24-33-32(17-18-34(42)38-33)36(25-28)31(29)16-14-22-41(36)35(43)27-40(3)21-13-9-7-5-4-6-8-12-20-39(2)26-30-15-10-11-19-37-30/h10-11,15,17-19,23,29,31H,4-9,12-14,16,20-22,24-27H2,1-3H3,(H,38,42)/t29-,31+,36+/m0/s1
    MOLECULAR FORMULA
    C36H53N5O2
    CROSS REFERENCES
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    canSAR823833
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight587.42
    AlogP5.91
    HBond donors1
    HBond acceptors7
    Atoms96
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823833.