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canSAR929054
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.NC(=O)C1=CN(C2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1
    InChI
    InChI=1S/C21H29N7O14P2.C18H24O2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t10-,11-,13-,14-,15-,16-,20?,21?;14-,15-,16+,17+,18+/m11/s1
    MOLECULAR FORMULA
    C39H53N7O16P2
    CROSS REFERENCES
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    canSAR929054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 937.30
    AlogP 0.92
    HBond donors 12
    HBond acceptors 23
    Atoms 117
    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 canSAR929054.