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canSAR1832191
FEATURES
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NAMES
    SMILES
    CCC1=C(OC(=O)N(CC)CC)N2C(=O)OC(=NCCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12
    InChI
    InChI=1S/C38H41N5O6/c1-5-25-27-17-18-28-30(33(45)41(4)32(28)44)31(27)38(21-23-13-9-8-10-14-23)35(39-20-19-24-22-40-29-16-12-11-15-26(24)29)49-37(47)43(38)34(25)48-36(46)42(6-2)7-3/h8-17,22,28,30-31,40H,5-7,18-21H2,1-4H3/t28-,30-,31+,38+/m1/s1
    MOLECULAR FORMULA
    C38H41N5O6
    CROSS REFERENCES
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    canSAR1832191

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 663.31
    AlogP 5.83
    HBond donors 1
    HBond acceptors 11
    Atoms 90
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1832191.