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canSAR1144882
FEATURES
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NAMES
    SMILES
    CCOP(=O)(OCC)C(NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1
    InChI
    InChI=1S/C32H43N2O5PS/c1-7-38-40(37,39-8-2)28(22-13-10-9-11-14-22)33-30(41)34-29(36)32(6)18-12-17-31(5)25-16-15-23(21(3)4)19-24(25)26(35)20-27(31)32/h9-11,13-16,19,21,27-28H,7-8,12,17-18,20H2,1-6H3,(H2,33,34,36,41)/t27-,28?,31-,32-/m1/s1
    MOLECULAR FORMULA
    C32H43N2O5PS
    CROSS REFERENCES
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    canSAR1144882

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.26
    AlogP 7.42
    HBond donors 2
    HBond acceptors 7
    Atoms 84
    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 canSAR1144882.