500663 logo
canSAR500663
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H]1C(=O)N(c2nccs2)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4c(N(C)C)cccc34)[C@H]12
    InChI
    InChI=1S/C27H31N5O4S2/c1-17-24-21(32(25(17)33)27-28-13-16-37-27)12-15-30(24)26(34)22-10-6-14-31(22)38(35,36)23-11-5-7-18-19(23)8-4-9-20(18)29(2)3/h4-5,7-9,11,13,16-17,21-22,24H,6,10,12,14-15H2,1-3H3/t17-,21-,22-,24+/m0/s1
    MOLECULAR FORMULA
    C27H31N5O4S2
    CROSS REFERENCES
    500663 logo

    canSAR500663

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.18
    AlogP 3.17
    HBond donors 0
    HBond acceptors 9
    Atoms 69
    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 canSAR500663.