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canSAR830984
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)[C@@H]2O
    InChI
    InChI=1S/C40H57N5O7/c1-40-18-17-28-27-16-14-26(46)19-24(27)13-15-29(28)30(40)20-25(36(40)50)11-9-7-5-3-2-4-6-8-10-12-32(47)51-21-31-34(48)35(49)39(52-31)45-23-44-33-37(41)42-22-43-38(33)45/h14,16,19,22-23,25,28-31,34-36,39,46,48-50H,2-13,15,17-18,20-21H2,1H3,(H2,41,42,43)/t25-,28+,29+,30-,31+,34+,35+,36-,39+,40-/m0/s1
    MOLECULAR FORMULA
    C40H57N5O7
    CROSS REFERENCES
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    canSAR830984

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 719.43
    AlogP 5.71
    HBond donors 6
    HBond acceptors 12
    Atoms 109
    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 canSAR830984.