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canSAR828144
FEATURES
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NAMES
    SMILES
    COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COC2=CC3C(C=C2)CCCN3CCNC(C)=O)cc1
    InChI
    InChI=1S/C35H48N4O5/c1-27(40)37-17-19-38-18-5-8-28-10-13-33(23-34(28)38)44-26-31-24-36-16-20-39(31)30-11-14-32(15-12-30)43-22-6-21-42-25-29-7-3-4-9-35(29)41-2/h3-4,7,9-15,23,28,31,34,36H,5-6,8,16-22,24-26H2,1-2H3,(H,37,40)/t28?,31-,34?/m1/s1
    MOLECULAR FORMULA
    C35H48N4O5
    CROSS REFERENCES
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    canSAR828144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 604.36
    AlogP 4.15
    HBond donors 2
    HBond acceptors 9
    Atoms 92
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828144.