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canSAR1017541
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)[C@H]2COCCN2C(=O)[C@@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
    InChI
    InChI=1S/C26H35IN8O9/c27-14-8-13(3-4-19(14)36)9-17-25(43)35-6-7-44-12-18(35)24(42)33-15(2-1-5-30-26(28)29)22(40)31-11-20(37)32-16(10-21(38)39)23(41)34-17/h3-4,8,15-18,36H,1-2,5-7,9-12H2,(H,31,40)(H,32,37)(H,33,42)(H,34,41)(H,38,39)(H4,28,29,30)/t15-,16-,17+,18+/m0/s1
    MOLECULAR FORMULA
    C26H35IN8O9
    CROSS REFERENCES
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    canSAR1017541

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 730.16
    AlogP -2.91
    HBond donors 10
    HBond acceptors 17
    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 canSAR1017541.