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canSAR832250
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H]1OC(n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](O)COC(N)=O
    InChI
    InChI=1S/C23H36N6O14/c1-7(2)3-9(24)18(36)26-11(13(32)10(31)6-42-22(25)40)19(37)27-12(21(38)39)16-14(33)15(34)20(43-16)29-4-8(5-30)17(35)28-23(29)41/h4,7,9-16,20,30-34H,3,5-6,24H2,1-2H3,(H2,25,40)(H,26,36)(H,27,37)(H,38,39)(H,28,35,41)/t9-,10-,11-,12-,13+,14-,15+,16+,20?/m0/s1
    MOLECULAR FORMULA
    C23H36N6O14
    CROSS REFERENCES
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    canSAR832250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.23
    AlogP -6.11
    HBond donors 13
    HBond acceptors 20
    Atoms 79
    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 canSAR832250.