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canSAR1142426
FEATURES
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NAMES
    SMILES
    CC(NCc1ccccc1)C(=O)NC[C@@H]1NC(=O)CNC(=O)[C@@H](O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)C(C(O)C(O)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O
    InChI
    InChI=1S/C35H54N10O14/c1-15(2)23-34(58)45-25(26(50)27(51)28(36)52)35(59)44-24(17(4)47)33(57)39-12-21(48)32(56)40-13-22(49)41-19(30(54)42-20(14-46)31(55)43-23)11-38-29(53)16(3)37-10-18-8-6-5-7-9-18/h5-9,15-17,19-21,23-27,37,46-48,50-51H,10-14H2,1-4H3,(H2,36,52)(H,38,53)(H,39,57)(H,40,56)(H,41,49)(H,42,54)(H,43,55)(H,44,59)(H,45,58)/t16?,17-,19+,20+,21+,23+,24+,25?,26?,27?/m1/s1
    MOLECULAR FORMULA
    C35H54N10O14
    CROSS REFERENCES
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    canSAR1142426

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 838.38
    AlogP -8.45
    HBond donors 16
    HBond acceptors 24
    Atoms 113
    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 canSAR1142426.