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canSAR1444222
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NAMES
    SMILES
    C(\CCc1c2ccccc2c(CC/C=N/NC2=NCCN2)c2ccccc12)=N/NC1=NCCN1.Cl.Cl
    InChI
    InChI=1S/C26H30N8.2ClH/c1-2-8-20-19(7-1)23(11-5-13-31-33-25-27-15-16-28-25)21-9-3-4-10-22(21)24(20)12-6-14-32-34-26-29-17-18-30-26;;/h1-4,7-10,13-14H,5-6,11-12,15-18H2,(H2,27,28,33)(H2,29,30,34);2*1H/b31-13+,32-14+;;
    MOLECULAR FORMULA
    C26H32Cl2N8
    CROSS REFERENCES
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    canSAR1444222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.21
    AlogP 3.77
    HBond donors 4
    HBond acceptors 8
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1444222.