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canSAR1408723
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)C[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCNC(=O)c1ccc(I)cc1)C(=O)N[C@H](Cc1ccccc1)B(O)O
    InChI
    InChI=1S/C49H63BIN7O10/c1-2-3-16-39(48(65)58-42(50(67)68)29-32-12-6-4-7-13-32)56-47(64)40(24-25-43(52)60)57-49(66)41(31-59)55-45(62)30-38(28-33-18-19-34-14-9-10-15-36(34)27-33)54-44(61)17-8-5-11-26-53-46(63)35-20-22-37(51)23-21-35/h4,6-7,9-10,12-15,18-23,27,38-42,59,67-68H,2-3,5,8,11,16-17,24-26,28-31H2,1H3,(H2,52,60)(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,66)(H,58,65)/t38-,39-,40-,41-,42+/m0/s1
    MOLECULAR FORMULA
    C49H63BIN7O10
    CROSS REFERENCES
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    canSAR1408723

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1047.38
    AlogP 2.49
    HBond donors 11
    HBond acceptors 17
    Atoms 131
    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 canSAR1408723.