canSAR2169331
FEATURES
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NAMES
    SMILES
    CN=C(O)C1CN(c2nc(O)c(-c3nc4ccccc4s3)c(N[C@H]3CCCNC3)n2)CCO1
    InChI
    InChI=1S/C22H27N7O3S/c1-23-19(30)15-12-29(9-10-32-15)22-27-18(25-13-5-4-8-24-11-13)17(20(31)28-22)21-26-14-6-2-3-7-16(14)33-21/h2-3,6-7,13,15,24H,4-5,8-12H2,1H3,(H,23,30)(H2,25,27,28,31)/t13-,15?/m0/s1
    MOLECULAR FORMULA
    C22H27N7O3S
    CROSS REFERENCES
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    canSAR2169331
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight469.19
    AlogP2.41
    HBond donors4
    HBond acceptors10
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2169331.