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canSAR1220156
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)NCCCCNC(=N)N)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C47H87N13O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32(61)58-30(20-18-25-57-46(51)52)41(67)54-27-19-26-53-34(42(68)55-23-16-17-24-56-45(49)50)39(72-44-38(66)35(63)31(29-48)70-44)40-36(64)37(65)43(71-40)60-28-22-33(62)59-47(60)69/h22,28,30-31,34-40,43-44,53,63-66H,2-21,23-27,29,48H2,1H3,(H,54,67)(H,55,68)(H,58,61)(H4,49,50,56)(H4,51,52,57)(H,59,62,69)/t30-,31+,34-,35+,36-,37+,38+,39-,40-,43+,44-/m0/s1
    MOLECULAR FORMULA
    C47H87N13O12
    CROSS REFERENCES
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    canSAR1220156

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1025.66
    AlogP -1.59
    HBond donors 19
    HBond acceptors 25
    Atoms 159
    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 canSAR1220156.