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canSAR1144249
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(I)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1
    InChI
    InChI=1S/C30H33IN2O3/c1-29-12-10-23(36-28(35)19-4-7-22(31)8-5-19)17-21(29)6-9-24-25(29)11-13-30(2)26(24)16-20(18-34)27(30)33-15-3-14-32-33/h3-8,14-15,18,23-26H,9-13,16-17H2,1-2H3/t23-,24+,25-,26-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H33IN2O3
    CROSS REFERENCES
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    canSAR1144249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.15
    AlogP 6.70
    HBond donors 0
    HBond acceptors 5
    Atoms 69
    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 canSAR1144249.