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canSAR984891
FEATURES
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NAMES
    SMILES
    CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@@]1(C)O
    InChI
    InChI=1S/C30H39N6O8PS/c1-17(26(38)41-15-29(2,3)4)35-45(40,44-20-13-9-11-18-10-7-8-12-19(18)20)42-14-21-23(37)30(5,39)27(43-21)36-16-32-22-24(36)33-28(31)34-25(22)46-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,45?/m0/s1
    MOLECULAR FORMULA
    C30H39N6O8PS
    CROSS REFERENCES
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    canSAR984891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.23
    AlogP 4.06
    HBond donors 5
    HBond acceptors 14
    Atoms 85
    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 canSAR984891.