canSAR1083813
FEATURES
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NAMES
    SMILES
    Nc1nc(=S)[nH]c2c1C(c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2
    InChI
    InChI=1S/C27H18Cl2N4OS/c28-16-8-6-14(7-9-16)21-13-19(23-25(30)32-27(35)33-26(23)34-21)22-18-12-17(29)10-11-20(18)31-24(22)15-4-2-1-3-5-15/h1-13,19,31H,(H3,30,32,33,35)
    MOLECULAR FORMULA
    C27H18Cl2N4OS
    CROSS REFERENCES
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    canSAR1083813
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight516.06
    AlogP7.74
    HBond donors4
    HBond acceptors5
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083813.