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canSAR1128331
FEATURES
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NAMES
    SMILES
    CN(C[C@@H](CCN1CCC(c2ccccc2S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12
    InChI
    InChI=1S/C34H36Cl2N2O3S/c1-37(34(39)30-12-7-9-24-8-3-4-10-28(24)30)23-27(26-14-15-31(35)32(36)22-26)18-21-38-19-16-25(17-20-38)29-11-5-6-13-33(29)42(2,40)41/h3-15,22,25,27H,16-21,23H2,1-2H3/t27-/m1/s1
    MOLECULAR FORMULA
    C34H36Cl2N2O3S
    CROSS REFERENCES
    1128331 logo

    canSAR1128331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.18
    AlogP 7.68
    HBond donors 0
    HBond acceptors 5
    Atoms 78
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128331.