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canSAR2207131
FEATURES
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NAMES
    SMILES
    O=c1[nH]c(NC2CCC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
    InChI
    InChI=1S/C21H25N5O4S/c27-9-10-8-13(17(29)16(10)28)23-18-15(20-24-12-6-1-2-7-14(12)31-20)19(30)26-21(25-18)22-11-4-3-5-11/h1-2,6-7,10-11,13,16-17,27-29H,3-5,8-9H2,(H3,22,23,25,26,30)/t10-,13-,16-,17+/m1/s1
    MOLECULAR FORMULA
    C21H25N5O4S
    CROSS REFERENCES
    2207131 logo

    canSAR2207131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.16
    AlogP 1.53
    HBond donors 6
    HBond acceptors 9
    Atoms 56
    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 canSAR2207131.