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canSAR777856
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N(C)Cc2ccccn2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
    InChI
    InChI=1S/C40H53N5O4/c1-27-18-19-30(39(49)44(5)25-32-17-11-12-20-41-32)22-33(27)37(47)42-34(21-28-13-7-6-8-14-28)36(46)26-45-24-31-16-10-9-15-29(31)23-35(45)38(48)43-40(2,3)4/h6-8,11-14,17-20,22,29,31,34-36,46H,9-10,15-16,21,23-26H2,1-5H3,(H,42,47)(H,43,48)/t29-,31+,34-,35-,36+/m0/s1
    MOLECULAR FORMULA
    C40H53N5O4
    CROSS REFERENCES
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    canSAR777856

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 667.41
    AlogP 5.16
    HBond donors 3
    HBond acceptors 9
    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 canSAR777856.