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canSAR120671
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O
    InChI
    InChI=1S/C38H54N7O12P/c1-22(2)20-29(38(53)45-19-7-10-30(45)37(52)42-27(16-17-31(39)47)35(50)44-33(23(3)46)34(40)49)43-36(51)28(41-32(48)18-13-24-8-5-4-6-9-24)21-25-11-14-26(15-12-25)57-58(54,55)56/h4-6,8-9,11-12,14-15,22-23,27-30,33,46H,7,10,13,16-21H2,1-3H3,(H2,39,47)(H2,40,49)(H,41,48)(H,42,52)(H,43,51)(H,44,50)(H2,54,55,56)/t23-,27+,28+,29+,30+,33+/m1/s1
    MOLECULAR FORMULA
    C38H54N7O12P
    CROSS REFERENCES
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    canSAR120671

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 831.36
    AlogP -0.56
    HBond donors 11
    HBond acceptors 19
    Atoms 112
    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 canSAR120671.