canSAR163195
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(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[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(22-29-12-18-32(55)19-13-29)40(57)47-33(7-5-6-20-45)39(56)48-34(21-28-10-16-31(54)17-11-28)41(58)50-36(44(61)62)23-27-8-14-30(15-9-27)52(63)64/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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    canSAR163195
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight922.39
    AlogP1.15
    HBond donors11
    HBond acceptors20
    Atoms123
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163195.