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canSAR1524482
FEATURES
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NAMES
    SMILES
    CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCNC1Cc1ccc(/C(N)=N/C(=O)OC(C)C)cc1)c1ccccn1
    InChI
    InChI=1S/C33H37N7O5/c1-4-44-29(41)14-17-40(28-7-5-6-15-36-28)32(42)24-12-13-27-25(20-24)37-31-26(35-16-18-39(27)31)19-22-8-10-23(11-9-22)30(34)38-33(43)45-21(2)3/h5-13,15,20-21,26,35H,4,14,16-19H2,1-3H3,(H2,34,38,43)
    MOLECULAR FORMULA
    C33H37N7O5
    CROSS REFERENCES
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    canSAR1524482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.29
    AlogP 4.17
    HBond donors 3
    HBond acceptors 12
    Atoms 82
    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 canSAR1524482.