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canSAR1013787
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NAMES
    SMILES
    O=C(CNC(=S)Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1
    InChI
    InChI=1S/C46H48ClFN8O6S/c47-32-13-16-34(17-14-32)51-46(63)50-28-41(58)52-36(24-29-8-3-1-4-9-29)43(59)49-27-40(57)53-37(25-30-10-5-2-6-11-30)44(60)56-21-7-12-38(56)45(61)55-22-19-31(20-23-55)42-35-18-15-33(48)26-39(35)62-54-42/h1-6,8-11,13-18,26,31,36-38H,7,12,19-25,27-28H2,(H,49,59)(H,52,58)(H,53,57)(H2,50,51,63)/t36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C46H48ClFN8O6S
    CROSS REFERENCES
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    canSAR1013787

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 894.31
    AlogP 4.88
    HBond donors 5
    HBond acceptors 14
    Atoms 111
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1013787.