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canSAR828834
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NAMES
    SMILES
    CCCCCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12
    InChI
    InChI=1S/C29H37N6O9P/c1-4-5-8-14-41-26(38)17(2)34-45(40,44-20-13-9-11-18-10-6-7-12-19(18)20)42-15-21-23(36)29(3,39)27(43-21)35-16-31-22-24(35)32-28(30)33-25(22)37/h6-7,9-13,16-17,21,23,27,36,39H,4-5,8,14-15H2,1-3H3,(H,34,40)(H3,30,32,33,37)/t17-,21+,23+,27+,29+,45?/m0/s1
    MOLECULAR FORMULA
    C29H37N6O9P
    CROSS REFERENCES
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    canSAR828834

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.24
    AlogP 2.78
    HBond donors 6
    HBond acceptors 15
    Atoms 82
    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 canSAR828834.