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canSAR931516
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](CCSC)C(=O)N[C@H](C(C)C)P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
    InChI
    InChI=1S/C34H41Cl2N2O8PS2/c1-23(2)32(47(42,45-27-14-10-25(35)11-15-27)46-28-16-12-26(36)13-17-28)38-31(39)30(19-21-49-4)44-33(40)29(18-20-48-3)37-34(41)43-22-24-8-6-5-7-9-24/h5-17,23,29-30,32H,18-22H2,1-4H3,(H,37,41)(H,38,39)/t29-,30-,32-/m0/s1
    MOLECULAR FORMULA
    C34H41Cl2N2O8PS2
    CROSS REFERENCES
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    canSAR931516

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 770.14
    AlogP 8.46
    HBond donors 2
    HBond acceptors 10
    Atoms 90
    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 canSAR931516.