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canSAR1068865
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(C(O)P(=O)(O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(C)=O
    InChI
    InChI=1S/C43H52N7O14P/c1-24(51)46-31(16-18-36(52)53)39(57)48-34(21-26-12-14-27(15-13-26)43(61)65(62,63)64)42(60)49-33(20-25-8-4-3-5-9-25)41(59)47-32(17-19-37(54)55)40(58)50-35(38(56)44-2)22-28-23-45-30-11-7-6-10-29(28)30/h3-15,23,31-35,43,45,61H,16-22H2,1-2H3,(H,44,56)(H,46,51)(H,47,59)(H,48,57)(H,49,60)(H,50,58)(H,52,53)(H,54,55)(H2,62,63,64)/t31-,32-,33-,34-,35+,43?/m0/s1
    MOLECULAR FORMULA
    C43H52N7O14P
    CROSS REFERENCES
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    canSAR1068865

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 921.33
    AlogP 0.28
    HBond donors 12
    HBond acceptors 21
    Atoms 117
    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 canSAR1068865.