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canSAR1090543
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31-,34+,35-/m1/s1
    MOLECULAR FORMULA
    C35H50N2O4
    CROSS REFERENCES
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    canSAR1090543

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.38
    AlogP 6.72
    HBond donors 4
    HBond acceptors 6
    Atoms 91
    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 canSAR1090543.