canSAR741113
FEATURES
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NAMES
    SMILES
    C=CCOc1ccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC=C)C(=O)OCc2ccccc2)cc1.Cl.Cl
    InChI
    InChI=1S/C38H54N8O7.2ClH/c1-4-12-32(37(51)53-25-28-13-7-6-8-14-28)46-35(49)31(16-11-22-42-38(40)41)44-34(48)30(15-9-10-21-39)45-36(50)33(43-26(3)47)24-27-17-19-29(20-18-27)52-23-5-2;;/h4-8,13-14,17-20,30-33H,1-2,9-12,15-16,21-25,39H2,3H3,(H,43,47)(H,44,48)(H,45,50)(H,46,49)(H4,40,41,42);2*1H/t30-,31+,32-,33-;;/m0../s1
    MOLECULAR FORMULA
    C38H56Cl2N8O7
    CROSS REFERENCES
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    canSAR741113
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight806.36
    AlogP2.31
    HBond donors10
    HBond acceptors15
    Atoms111
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR741113.