984779 logo
canSAR984779
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
    InChI
    InChI=1S/C25H38BN5O6S3/c1-3-26(4-2)37-24(32)23(27)7-5-6-17-29-25(38)31-20-10-14-22(15-11-20)40(35,36)30-18-16-19-8-12-21(13-9-19)39(28,33)34/h8-15,23,30H,3-7,16-18,27H2,1-2H3,(H2,28,33,34)(H2,29,31,38)/t23-/m0/s1
    MOLECULAR FORMULA
    C25H38BN5O6S3
    CROSS REFERENCES
    984779 logo

    canSAR984779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.21
    AlogP 2.21
    HBond donors 7
    HBond acceptors 11
    Atoms 78
    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 canSAR984779.