canSAR631245
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1OC(=O)CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O
    InChI
    InChI=1S/C47H74N8O12/c1-15-28(6)39-44(63)50-24-35(56)53(11)33(22-26(2)3)42(61)49-25-36(57)55(13)38(27(4)5)45(64)54(12)34(23-31-16-18-32(66-14)19-17-31)43(62)51-29(7)40(59)47(9,10)46(65)52-30(8)41(60)48-21-20-37(58)67-39/h16-19,26-30,33-34,38-39H,15,20-25H2,1-14H3,(H,48,60)(H,49,61)(H,50,63)(H,51,62)(H,52,65)/t28-,29-,30+,33-,34-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C47H74N8O12
    CROSS REFERENCES
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    canSAR631245
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight942.54
    AlogP0.74
    HBond donors5
    HBond acceptors20
    Atoms141
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR631245.