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canSAR2049506
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)c1cc(-c2ccccc2)cs1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1
    InChI
    InChI=1S/C38H44Cl2N8O5S/c39-28-10-6-11-29(40)27(28)21-53-26-16-14-24(15-17-26)33(34(42)49)48-36(51)30(12-4-5-18-41)46-35(50)31(13-7-19-45-38(43)44)47-37(52)32-20-25(22-54-32)23-8-2-1-3-9-23/h1-3,6,8-11,14-17,20,22,30-31,33H,4-5,7,12-13,18-19,21,41H2,(H2,42,49)(H,46,50)(H,47,52)(H,48,51)(H4,43,44,45)/t30-,31-,33+/m0/s1
    MOLECULAR FORMULA
    C38H44Cl2N8O5S
    CROSS REFERENCES
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    canSAR2049506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 794.25
    AlogP 4.62
    HBond donors 11
    HBond acceptors 13
    Atoms 98
    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 canSAR2049506.