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canSAR1123959
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CCN)C(=O)N[C@@H](C)C(=O)NCCN1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)c1
    InChI
    InChI=1S/C47H71N9O10/c1-26(2)20-35(52-38(58)16-17-48)43(61)51-29(7)41(59)49-18-19-56-25-34-14-10-9-13-32(34)23-37(56)45(63)50-24-31-12-11-15-33(22-31)42(60)53-36(21-27(3)4)44(62)55-40(30(8)57)46(64)54-39(28(5)6)47(65)66/h9-15,22,26-30,35-37,39-40,57H,16-21,23-25,48H2,1-8H3,(H,49,59)(H,50,63)(H,51,61)(H,52,58)(H,53,60)(H,54,64)(H,55,62)(H,65,66)/t29-,30+,35-,36-,37-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C47H71N9O10
    CROSS REFERENCES
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    canSAR1123959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 921.53
    AlogP 0.47
    HBond donors 11
    HBond acceptors 19
    Atoms 137
    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 canSAR1123959.