canSAR60940
FEATURES
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NAMES
    SMILES
    Cc1nnc(-c2c(-c3nnc(C4(c5ccc(Cl)cc5)CC4)s3)nn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)s1
    InChI
    InChI=1S/C29H18BrCl3N6S2/c1-15-34-35-26(40-15)23-24(27-36-37-28(41-27)29(12-13-29)17-4-8-19(31)9-5-17)38-39(22-11-10-20(32)14-21(22)33)25(23)16-2-6-18(30)7-3-16/h2-11,14H,12-13H2,1H3
    MOLECULAR FORMULA
    C29H18BrCl3N6S2
    CROSS REFERENCES
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    canSAR60940
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight697.93
    AlogP9.69
    HBond donors0
    HBond acceptors6
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR60940.