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canSAR466061
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCCC2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1)c1ccccc1
    InChI
    InChI=1S/C40H47N5O5/c1-29(33-15-9-4-10-16-33)42-39(47)34-24-35(26-36(25-34)45(49)50)40(48)43-37(23-31-11-5-2-6-12-31)38(46)27-41-20-17-30-18-21-44(22-19-30)28-32-13-7-3-8-14-32/h2-16,24-26,29-30,37-38,41,46H,17-23,27-28H2,1H3,(H,42,47)(H,43,48)/t29-,37+,38-/m1/s1
    MOLECULAR FORMULA
    C40H47N5O5
    CROSS REFERENCES
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    canSAR466061

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 677.36
    AlogP 5.68
    HBond donors 4
    HBond acceptors 10
    Atoms 97
    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 canSAR466061.