canSAR1004293
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)NCCCN[C@H](C(=O)O)[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/C48H85N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(55-41(66)29(20-17-22-54-46(50)51)56-47(71)58-32(27(2)3)43(67)68)40(65)53-24-18-23-52-33(44(69)70)38(75-45-37(64)34(61)30(26-49)73-45)39-35(62)36(63)42(74-39)59-25-21-31(60)57-48(59)72/h21,25,27-30,32-39,42,45,52,61-64H,4-20,22-24,26,49H2,1-3H3,(H,53,65)(H,55,66)(H,67,68)(H,69,70)(H4,50,51,54)(H2,56,58,71)(H,57,60,72)/t28-,29-,30+,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
    MOLECULAR FORMULA
    C48H85N11O16
    CROSS REFERENCES
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    canSAR1004293
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1071.62
    AlogP-1.50
    HBond donors18
    HBond acceptors27
    Atoms160
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1004293.