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canSAR669471
FEATURES
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NAMES
    SMILES
    CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn(C3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25?/m0/s1
    MOLECULAR FORMULA
    C26H31N7O6
    CROSS REFERENCES
    669471 logo

    canSAR669471

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.23
    AlogP 1.78
    HBond donors 5
    HBond acceptors 13
    Atoms 70
    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 canSAR669471.