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canSAR832291
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](CCC(=O)O)NC1=O
    InChI
    InChI=1S/C40H59N11O14/c1-3-20(2)32-38(64)47-24(12-13-30(55)56)34(60)49-27(19-52)36(62)46-23(6-4-14-43-40(41)42)33(59)48-26(17-31(57)58)39(65)51-15-5-7-28(51)37(63)44-18-29(54)45-25(35(61)50-32)16-21-8-10-22(53)11-9-21/h8-11,20,23-28,32,52-53H,3-7,12-19H2,1-2H3,(H,44,63)(H,45,54)(H,46,62)(H,47,64)(H,48,59)(H,49,60)(H,50,61)(H,55,56)(H,57,58)(H4,41,42,43)/t20-,23-,24+,25-,26-,27-,28-,32-/m0/s1
    MOLECULAR FORMULA
    C40H59N11O14
    CROSS REFERENCES
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    canSAR832291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 917.42
    AlogP -4.39
    HBond donors 15
    HBond acceptors 25
    Atoms 124
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832291.