canSAR1602436
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC1CC1
    InChI
    InChI=1S/C28H36N6O3/c1-18-16-36-12-10-33(18)27-23-7-8-24(20-4-9-25(35-3)21(14-20)15-29-22-5-6-22)30-26(23)31-28(32-27)34-11-13-37-17-19(34)2/h4,7-9,14,18-19,22,29H,5-6,10-13,15-17H2,1-3H3/t18-,19-/m0/s1
    MOLECULAR FORMULA
    C28H36N6O3
    CROSS REFERENCES
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    canSAR1602436
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight504.28
    AlogP3.40
    HBond donors1
    HBond acceptors9
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1602436.