canSAR1600337
FEATURES
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NAMES
    SMILES
    NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C50H51N11O8/c51-22-45(63)57-42(21-44(52)62)49(67)60-40(18-28-24-54-36-14-6-2-10-32(28)36)47(65)58-39(17-27-23-53-35-13-5-1-9-31(27)35)46(64)59-41(19-29-25-55-37-15-7-3-11-33(29)37)48(66)61-43(50(68)69)20-30-26-56-38-16-8-4-12-34(30)38/h1-16,23-26,39-43,53-56H,17-22,51H2,(H2,52,62)(H,57,63)(H,58,65)(H,59,64)(H,60,67)(H,61,66)(H,68,69)/t39-,40-,41-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C50H51N11O8
    CROSS REFERENCES
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    canSAR1600337
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight933.39
    AlogP2.23
    HBond donors14
    HBond acceptors19
    Atoms120
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1600337.