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canSAR1060995
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@@H](Cc1c[nH]c2cc(Cl)ccc12)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]1CCCC[C@@H]1C(=O)O
    InChI
    InChI=1S/C44H52ClN6O13P/c1-46-39(55)36(21-27-23-47-33-22-28(45)15-16-29(27)33)51-40(56)32(17-18-37(52)53)48-41(57)35(19-24-7-3-2-4-8-24)50-42(58)34(49-38(54)30-9-5-6-10-31(30)43(59)60)20-25-11-13-26(14-12-25)44(61)65(62,63)64/h2-4,7-8,11-16,22-23,30-32,34-36,44,47,61H,5-6,9-10,17-21H2,1H3,(H,46,55)(H,48,57)(H,49,54)(H,50,58)(H,51,56)(H,52,53)(H,59,60)(H2,62,63,64)/t30-,31-,32-,34-,35-,36+,44?/m0/s1
    MOLECULAR FORMULA
    C44H52ClN6O13P
    CROSS REFERENCES
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    canSAR1060995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 938.30
    AlogP 2.46
    HBond donors 11
    HBond acceptors 19
    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 canSAR1060995.