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canSAR1018243
FEATURES
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NAMES
    SMILES
    CCCCOc1ccc(NC(=O)CCC(=O)N[C@H](C(=O)N[C@H](C(N)=O)c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
    InChI
    InChI=1S/C38H38N4O5/c1-2-3-22-47-32-18-16-31(17-19-32)40-33(43)20-21-34(44)41-36(30-15-13-26-9-5-7-11-28(26)24-30)38(46)42-35(37(39)45)29-14-12-25-8-4-6-10-27(25)23-29/h4-19,23-24,35-36H,2-3,20-22H2,1H3,(H2,39,45)(H,40,43)(H,41,44)(H,42,46)/t35-,36-/m0/s1
    MOLECULAR FORMULA
    C38H38N4O5
    CROSS REFERENCES
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    canSAR1018243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.28
    AlogP 6.09
    HBond donors 5
    HBond acceptors 9
    Atoms 85
    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 canSAR1018243.