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canSAR1130894
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2cn(CC[18F])nn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C56H72FN13O13S2/c1-31(71)47-55(81)65-45(54(80)67-48(32(2)72)56(82)83)30-85-84-29-44(64-50(76)41(24-33-10-4-3-5-11-33)60-46(74)20-17-36-28-70(23-21-57)69-68-36)53(79)62-42(25-34-15-18-37(73)19-16-34)51(77)63-43(26-35-27-59-39-13-7-6-12-38(35)39)52(78)61-40(49(75)66-47)14-8-9-22-58/h3-7,10-13,15-16,18-19,27-28,31-32,40-45,47-48,59,71-73H,8-9,14,17,20-26,29-30,58H2,1-2H3,(H,60,74)(H,61,78)(H,62,79)(H,63,77)(H,64,76)(H,65,81)(H,66,75)(H,67,80)(H,82,83)/t31-,32-,40+,41-,42+,43-,44+,45+,47+,48+/m1/s1/i57-1
    MOLECULAR FORMULA
    C56H72FN13O13S2
    CROSS REFERENCES
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    canSAR1130894

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1216.48
    AlogP -0.66
    HBond donors 15
    HBond acceptors 26
    Atoms 157
    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 canSAR1130894.