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canSAR985401
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N(C)[C@@H](C(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C48H73N7O10/c1-32(2)29-37(45(61)51-36(43(49)59)30-34-23-17-15-18-24-34)52-46(62)41(33(3)56)54-39(57)27-21-13-11-9-7-5-6-8-10-12-14-22-28-40(58)55(4)42(44(50)60)47(63)53-38(48(64)65)31-35-25-19-16-20-26-35/h15-20,23-26,32-33,36-38,41-42,56H,5-14,21-22,27-31H2,1-4H3,(H2,49,59)(H2,50,60)(H,51,61)(H,52,62)(H,53,63)(H,54,57)(H,64,65)/t33-,36-,37-,38+,41-,42-/m0/s1
    MOLECULAR FORMULA
    C48H73N7O10
    CROSS REFERENCES
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    canSAR985401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 907.54
    AlogP 3.18
    HBond donors 10
    HBond acceptors 17
    Atoms 138
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR985401.