829305 logo
canSAR829305
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1c(C(=O)NCCCCCCCCCN(C)CCCCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
    InChI
    InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
    MOLECULAR FORMULA
    C53H61Cl6N7O2
    CROSS REFERENCES
    829305 logo

    canSAR829305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1037.30
    AlogP 15.48
    HBond donors 2
    HBond acceptors 9
    Atoms 129
    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 canSAR829305.