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canSAR1132826
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC
    InChI
    InChI=1S/C48H64N6O11/c1-8-28(5)40(45(61)52-37(48(64)65)25-31-20-22-34(56)23-21-31)54-46(62)41(29(6)9-2)53-44(60)36(26-38(57)58)50-43(59)35(24-27(3)4)51-47(63)42(49-30(7)55)39(32-16-12-10-13-17-32)33-18-14-11-15-19-33/h10-23,27-29,35-37,39-42,56H,8-9,24-26H2,1-7H3,(H,49,55)(H,50,59)(H,51,63)(H,52,61)(H,53,60)(H,54,62)(H,57,58)(H,64,65)/t28-,29-,35-,36-,37-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C48H64N6O11
    CROSS REFERENCES
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    canSAR1132826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 900.46
    AlogP 3.39
    HBond donors 9
    HBond acceptors 17
    Atoms 129
    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 canSAR1132826.