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canSAR651174
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NAMES
    SMILES
    COc1ccc(-c2csc(-c3ccc(C)nc3)n2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)oc12
    InChI
    InChI=1S/C29H23N5O3S/c1-18-3-6-20(14-31-18)29-33-24(16-38-29)22-9-10-25(36-2)27-23(22)13-26(37-27)28(35)32-21-7-4-19(5-8-21)15-34-12-11-30-17-34/h3-14,16-17H,15H2,1-2H3,(H,32,35)
    MOLECULAR FORMULA
    C29H23N5O3S
    CROSS REFERENCES
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    canSAR651174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 521.15
    AlogP 6.43
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR651174.