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canSAR342809
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
    InChI
    InChI=1S/C44H58N8O12S/c1-4-25(2)38(51-42(59)37(24-65)46-26(3)53)43(60)49-35(21-27-8-14-30(15-9-27)52(63)64)40(57)47-33(7-5-6-20-45)39(56)48-34(22-28-10-16-31(54)17-11-28)41(58)50-36(44(61)62)23-29-12-18-32(55)19-13-29/h8-19,25,33-38,54-55,65H,4-7,20-24,45H2,1-3H3,(H,46,53)(H,47,57)(H,48,56)(H,49,60)(H,50,58)(H,51,59)(H,61,62)/t25?,33-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C44H58N8O12S
    CROSS REFERENCES
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    canSAR342809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 922.39
    AlogP 1.15
    HBond donors 11
    HBond acceptors 20
    Atoms 123
    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 canSAR342809.