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canSAR1129627
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)C(=O)O)C1CCCCC1
    InChI
    InChI=1S/C44H65N11O12/c1-24(2)35(53-37(59)30(50-34(58)22-56)11-7-17-48-44(45)46)39(61)51-31(19-26-13-15-29(57)16-14-26)38(60)54-36(27-9-5-4-6-10-27)40(62)52-32(20-28-21-47-23-49-28)41(63)55-18-8-12-33(55)43(66)67-25(3)42(64)65/h13-16,21,23-25,27,30-33,35-36,56-57H,4-12,17-20,22H2,1-3H3,(H,47,49)(H,50,58)(H,51,61)(H,52,62)(H,53,59)(H,54,60)(H,64,65)(H4,45,46,48)/t25-,30-,31-,32-,33-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C44H65N11O12
    CROSS REFERENCES
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    canSAR1129627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 939.48
    AlogP -1.39
    HBond donors 13
    HBond acceptors 23
    Atoms 132
    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 canSAR1129627.