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canSAR159258
FEATURES
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NAMES
    SMILES
    C[C@H](OC(=O)NCCCCl)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
    InChI
    InChI=1S/C27H24ClN3O3/c1-14(34-27(33)29-12-6-11-28)20-15-7-2-3-8-16(15)22-23-18(13-30-26(23)32)21-17-9-4-5-10-19(17)31-25(21)24(20)22/h2-5,7-10,14,20,31H,6,11-13H2,1H3,(H,29,33)(H,30,32)/t14-,20-/m0/s1
    MOLECULAR FORMULA
    C27H24ClN3O3
    CROSS REFERENCES
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    canSAR159258

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.15
    AlogP 5.42
    HBond donors 3
    HBond acceptors 6
    Atoms 58
    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 canSAR159258.