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canSAR114332
FEATURES
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NAMES
    SMILES
    CCn1cc(C(=O)NCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c4csc(N)n4)C3SC2)c(=O)c2cc(O)c(O)cc21
    InChI
    InChI=1S/C29H29N7O11S2/c1-4-35-8-13(21(39)12-5-16(37)17(38)6-15(12)35)22(40)31-7-11-9-48-25-19(24(42)36(25)20(11)26(43)44)33-23(41)18(14-10-49-28(30)32-14)34-47-29(2,3)27(45)46/h5-6,8,10,19,25,37-38H,4,7,9H2,1-3H3,(H2,30,32)(H,31,40)(H,33,41)(H,43,44)(H,45,46)/b34-18-/t19-,25?/m1/s1
    MOLECULAR FORMULA
    C29H29N7O11S2
    CROSS REFERENCES
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    canSAR114332

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 715.14
    AlogP 0.22
    HBond donors 8
    HBond acceptors 18
    Atoms 78
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114332.