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canSAR1205979
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1
    InChI
    InChI=1S/C46H51N7O4S/c47-46(48)50-27-10-17-39(52-45(57)41(31-58)51-42(54)30-34-20-24-38(25-21-34)36-15-8-3-9-16-36)44(56)53-40(43(55)49-28-26-32-11-4-1-5-12-32)29-33-18-22-37(23-19-33)35-13-6-2-7-14-35/h1-9,11-16,18-25,39-41,58H,10,17,26-31H2,(H,49,55)(H,51,54)(H,52,57)(H,53,56)(H4,47,48,50)/t39-,40-,41-/m0/s1
    MOLECULAR FORMULA
    C46H51N7O4S
    CROSS REFERENCES
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    canSAR1205979

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 797.37
    AlogP 4.81
    HBond donors 8
    HBond acceptors 11
    Atoms 109
    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 canSAR1205979.