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canSAR1143342
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12
    InChI
    InChI=1S/C48H71N11O9/c1-6-51-46(67)40-14-10-22-59(40)47(68)35(13-9-21-52-48(49)50)55-42(63)36(23-28(2)3)56-43(64)37(24-29(4)5)57-44(65)38(25-30-15-18-32(61)19-16-30)58-45(66)39(27-60)54-41(62)20-17-31-26-53-34-12-8-7-11-33(31)34/h7-8,11-12,15-16,18-19,26,28-29,35-40,53,60-61H,6,9-10,13-14,17,20-25,27H2,1-5H3,(H,51,67)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H4,49,50,52)/t35-,36-,37+,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C48H71N11O9
    CROSS REFERENCES
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    canSAR1143342

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 945.54
    AlogP 0.74
    HBond donors 13
    HBond acceptors 20
    Atoms 139
    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 canSAR1143342.