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canSAR2050372
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)Oc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2S3)[nH]1)C(C)C
    InChI
    InChI=1S/C40H48N8O7S/c1-21(2)33(45-39(51)53-5)37(49)47-15-7-9-27(47)35-41-19-25(43-35)23-12-14-31-30(17-23)55-29-13-11-24(18-32(29)56-31)26-20-42-36(44-26)28-10-8-16-48(28)38(50)34(22(3)4)46-40(52)54-6/h11-14,17-22,27-28,33-34H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t27-,28-,33-,34-/m0/s1
    MOLECULAR FORMULA
    C40H48N8O7S
    CROSS REFERENCES
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    canSAR2050372

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 784.34
    AlogP 6.81
    HBond donors 4
    HBond acceptors 15
    Atoms 104
    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 canSAR2050372.