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canSAR834052
FEATURES
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NAMES
    SMILES
    CC(=O)N(O)CCC[C@@H](N)C(=O)N[C@H](CCCN(O)C(C)=O)C(=O)N[C@H](CCCN(O)C(C)=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1
    InChI
    InChI=1S/C37H52ClN9O13/c1-20(48)44(58)17-7-12-25(39)32(51)40-26(13-8-18-45(59)21(2)49)33(52)41-27(14-9-19-46(60)22(3)50)34(53)42-29(23-10-5-4-6-11-23)35(54)43-30-28-16-15-24(38)31(37(56)57)47(28)36(30)55/h4-6,10-11,25-30,58-60H,7-9,12-19,39H2,1-3H3,(H,40,51)(H,41,52)(H,42,53)(H,43,54)(H,56,57)/t25-,26-,27-,28-,29-,30+/m1/s1
    MOLECULAR FORMULA
    C37H52ClN9O13
    CROSS REFERENCES
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    canSAR834052

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 865.34
    AlogP -0.78
    HBond donors 10
    HBond acceptors 22
    Atoms 112
    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 canSAR834052.