654519 logo
canSAR654519
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1Cn1cncn1)N1CCN(c2cccc(Cl)c2)CC1
    InChI
    InChI=1S/C29H23BrCl3N7O/c30-20-6-4-19(5-7-20)28-24(16-39-18-34-17-35-39)27(36-40(28)26-9-8-22(32)15-25(26)33)29(41)38-12-10-37(11-13-38)23-3-1-2-21(31)14-23/h1-9,14-15,17-18H,10-13,16H2
    MOLECULAR FORMULA
    C29H23BrCl3N7O
    CROSS REFERENCES
    654519 logo

    canSAR654519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 669.02
    AlogP 6.86
    HBond donors 0
    HBond acceptors 8
    Atoms 64
    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 canSAR654519.