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canSAR176843
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(N)=O
    InChI
    InChI=1S/C47H52N9O12P/c1-29(42(48)57)52-43(58)39(21-33-23-50-37-15-9-8-14-36(33)37)54-46(61)41(27-66-25-31-10-4-2-5-11-31)55-44(59)38(20-30-16-18-35(19-17-30)68-69(63,64)65)53-45(60)40(22-34-24-49-28-51-34)56-47(62)67-26-32-12-6-3-7-13-32/h2-19,23-24,28-29,38-41,50H,20-22,25-27H2,1H3,(H2,48,57)(H,49,51)(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,56,62)(H2,63,64,65)/t29-,38+,39+,40+,41+/m0/s1
    MOLECULAR FORMULA
    C47H52N9O12P
    CROSS REFERENCES
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    canSAR176843

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 965.35
    AlogP 2.35
    HBond donors 11
    HBond acceptors 21
    Atoms 121
    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 canSAR176843.