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canSAR55841
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)CCc1ccc(OS(=O)(=O)O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)46(63)54-37(17-7-5-2)48(65)56(3)40(27-43(59)60)47(64)55-38(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C48H62N8O13S
    CROSS REFERENCES
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    canSAR55841

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 990.42
    AlogP 1.99
    HBond donors 10
    HBond acceptors 21
    Atoms 132
    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 canSAR55841.