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canSAR1142611
FEATURES
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NAMES
    SMILES
    CC(C)[C@H]1C(=O)N(C)C[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@H]2CSSC[C@@H](C(=O)N1C)N(C)C(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cnc3ccccc3n1)CN(C)C(=O)[C@H](C(C)C)N(C)C2=O
    InChI
    InChI=1S/C52H68N14O10S2/c1-27(2)41-51(75)61(7)23-37(59-43(67)35-21-53-31-17-13-15-19-33(31)57-35)45(69)55-30(6)48(72)64(10)40-26-78-77-25-39(49(73)65(41)11)63(9)47(71)29(5)56-46(70)38(24-62(8)52(76)42(28(3)4)66(12)50(40)74)60-44(68)36-22-54-32-18-14-16-20-34(32)58-36/h13-22,27-30,37-42H,23-26H2,1-12H3,(H,55,69)(H,56,70)(H,59,67)(H,60,68)/t29-,30-,37+,38+,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C52H68N14O10S2
    CROSS REFERENCES
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    canSAR1142611

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1112.47
    AlogP 0.42
    HBond donors 4
    HBond acceptors 24
    Atoms 146
    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 canSAR1142611.