canSAR2095747
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]2CCCN2[C@H](C(=O)NC(C)(C)C)[C@H](CSC2CC(=O)N(c3cccc(C(=O)c4ccccc4)c3)C2=O)NC(=O)[C@H](CCCCN)NC1=O
    InChI
    InChI=1S/C47H65N9O9S/c1-27(2)22-33-43(62)51-32(18-10-11-20-48)42(61)53-34(26-66-36-24-38(58)56(46(36)65)31-17-12-16-30(23-31)40(59)29-14-8-7-9-15-29)39(45(64)54-47(4,5)6)55-21-13-19-35(55)44(63)49-25-37(57)50-28(3)41(60)52-33/h7-9,12,14-17,23,27-28,32-36,39H,10-11,13,18-22,24-26,48H2,1-6H3,(H,49,63)(H,50,57)(H,51,62)(H,52,60)(H,53,61)(H,54,64)/t28-,32-,33-,34-,35-,36?,39-/m0/s1
    MOLECULAR FORMULA
    C47H65N9O9S
    CROSS REFERENCES
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    canSAR2095747
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight931.46
    AlogP1.29
    HBond donors8
    HBond acceptors18
    Atoms131
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095747.