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canSAR1829811
FEATURES
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NAMES
    SMILES
    COc1ccc2c(c1)CC1(CCN([C@@H]3CCN(Cc4nc5c(c(=O)[nH]4)COCC5)C3=O)CC1)C2=O
    InChI
    InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m1/s1
    MOLECULAR FORMULA
    C26H30N4O5
    CROSS REFERENCES
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    canSAR1829811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.22
    AlogP 1.47
    HBond donors 1
    HBond acceptors 9
    Atoms 65
    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 canSAR1829811.