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canSAR987261
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1C(=O)N(C)[C@@H]([C@H](C)CC)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](CC=O)C(=O)N1C
    InChI
    InChI=1S/C57H91N9O13/c1-18-35(9)47-49(69)58-31-43(68)62(13)45(33(5)6)50(70)59-40(30-38-23-25-39(78-17)26-24-38)57(77)79-37(11)52(72)66-28-21-20-22-42(66)54(74)63(14)46(34(7)8)51(71)60-44(32(3)4)55(75)61(12)41(27-29-67)53(73)65(16)48(36(10)19-2)56(76)64(47)15/h23-26,29,32-37,40-42,44-48H,18-22,27-28,30-31H2,1-17H3,(H,58,69)(H,59,70)(H,60,71)/t35-,36+,37-,40+,41-,42+,44+,45+,46+,47+,48+/m1/s1
    MOLECULAR FORMULA
    C57H91N9O13
    CROSS REFERENCES
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    canSAR987261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1109.67
    AlogP 2.43
    HBond donors 3
    HBond acceptors 22
    Atoms 170
    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 canSAR987261.