canSAR947930
FEATURES
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NAMES
    SMILES
    CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(-c3nc(-n4cnc(C(=O)NCC(=O)O)c4)cs3)nc2-c2csc(n2)-c2csc(n2)[C@H]([C@@H](O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)[C@H](C(C)C)NC(=O)c2nc1sc2C
    InChI
    InChI=1S/C53H49N15O10S6/c1-23(2)38-53-67-41(33(84-53)17-78-5)46(76)55-14-36(70)64-42(43(73)25-9-7-6-8-10-25)52-62-32(20-81-52)50-60-30(18-80-50)40-26(11-12-27(58-40)49-63-34(21-82-49)68-16-29(57-22-68)44(74)56-15-37(71)72)48-61-31(19-79-48)45(75)59-28(13-35(69)54-4)51-66-39(24(3)83-51)47(77)65-38/h6-12,16,18-23,28,38,42-43,73H,13-15,17H2,1-5H3,(H,54,69)(H,55,76)(H,56,74)(H,59,75)(H,64,70)(H,65,77)(H,71,72)/t28-,38-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C53H49N15O10S6
    CROSS REFERENCES
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    canSAR947930
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1247.21
    AlogP6.31
    HBond donors8
    HBond acceptors25
    Atoms133
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR947930.