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canSAR1068696
FEATURES
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NAMES
    SMILES
    CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C48H61N13O6/c1-29(2)27-61(60-47(66)42(22-32-25-54-38-17-9-7-15-35(32)38)57-44(63)36(50)23-33-26-52-28-55-33)48(67)59-41(21-31-24-53-37-16-8-6-14-34(31)37)46(65)58-40(20-30-12-4-3-5-13-30)45(64)56-39(43(51)62)18-10-11-19-49/h3-9,12-17,24-26,28-29,36,39-42,53-54H,10-11,18-23,27,49-50H2,1-2H3,(H2,51,62)(H,52,55)(H,56,64)(H,57,63)(H,58,65)(H,59,67)(H,60,66)/t36-,39-,40+,41-,42+/m0/s1
    MOLECULAR FORMULA
    C48H61N13O6
    CROSS REFERENCES
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    canSAR1068696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 915.49
    AlogP 2.11
    HBond donors 14
    HBond acceptors 19
    Atoms 128
    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 canSAR1068696.