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canSAR220670
FEATURES
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NAMES
    SMILES
    CC1=CC2Cc3nc(O)ccc3C3(C1)C2CCCN3CCN1CCN(CCN2CCCC3C4C=C(C)CC32c2ccc(O)nc2C4)CC1
    InChI
    InChI=1S/C40H54N6O2/c1-27-21-29-23-35-33(7-9-37(47)41-35)39(25-27)31(29)5-3-11-45(39)19-17-43-13-15-44(16-14-43)18-20-46-12-4-6-32-30-22-28(2)26-40(32,46)34-8-10-38(48)42-36(34)24-30/h7-10,21-22,29-32H,3-6,11-20,23-26H2,1-2H3,(H,41,47)(H,42,48)/t29-,30-,31+,32+,39+,40+/m0/s1
    MOLECULAR FORMULA
    C40H54N6O2
    CROSS REFERENCES
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    canSAR220670

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 650.43
    AlogP 5.06
    HBond donors 2
    HBond acceptors 8
    Atoms 102
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR220670.