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canSAR1093188
FEATURES
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NAMES
    SMILES
    CCC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(OC)cc2)SC1=S
    InChI
    InChI=1S/C27H27N3O5S2/c1-5-16(2)23(26(32)33)29-24(31)22(37-27(29)36)15-21-17(3)28-30(18-9-7-6-8-10-18)25(21)35-20-13-11-19(34-4)12-14-20/h6-16,23H,5H2,1-4H3,(H,32,33)/b22-15-/t16?,23-/m0/s1
    MOLECULAR FORMULA
    C27H27N3O5S2
    CROSS REFERENCES
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    canSAR1093188

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.14
    AlogP 5.68
    HBond donors 1
    HBond acceptors 8
    Atoms 64
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1093188.