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canSAR1120173
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NAMES
    SMILES
    CCCCCc1ccc(-n2cc(CN(Cc3cn(-c4ccc(CCCCC)cc4)nn3)c3nc4ccccc4s3)nn2)cc1
    InChI
    InChI=1S/C35H40N8S/c1-3-5-7-11-27-15-19-31(20-16-27)42-25-29(37-39-42)23-41(35-36-33-13-9-10-14-34(33)44-35)24-30-26-43(40-38-30)32-21-17-28(18-22-32)12-8-6-4-2/h9-10,13-22,25-26H,3-8,11-12,23-24H2,1-2H3
    MOLECULAR FORMULA
    C35H40N8S
    CROSS REFERENCES
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    canSAR1120173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 604.31
    AlogP 8.13
    HBond donors 0
    HBond acceptors 8
    Atoms 84
    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 canSAR1120173.