1145513 logo
canSAR1145513
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C[C@@H](CCN1CCC(O)(c2ccc([S+](C)[O-])cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12
    InChI
    InChI=1S/C34H36Cl2N2O3S/c1-37(33(39)30-9-5-7-24-6-3-4-8-29(24)30)23-26(25-10-15-31(35)32(36)22-25)16-19-38-20-17-34(40,18-21-38)27-11-13-28(14-12-27)42(2)41/h3-15,22,26,40H,16-21,23H2,1-2H3/t26-,42?/m1/s1
    MOLECULAR FORMULA
    C34H36Cl2N2O3S
    CROSS REFERENCES
    1145513 logo

    canSAR1145513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.18
    AlogP 7.11
    HBond donors 1
    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 canSAR1145513.