745983 logo
canSAR745983
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[n+]1cc(F)c(-c2c3nc(c(-c4c(F)c[n+](C)cc4F)c4ccc([nH]4)c(-c4c(F)c[n+](C)cc4F)c4nc(c(-c5c(F)c[n+](C)cc5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1.F[B-](F)(F)F
    InChI
    InChI=1S/C44H29F8N8.BF4/c1-57-13-21(45)37(22(46)14-57)41-29-5-7-31(53-29)42(38-23(47)15-58(2)16-24(38)48)33-9-11-35(55-33)44(40-27(51)19-60(4)20-28(40)52)36-12-10-34(56-36)43(32-8-6-30(41)54-32)39-25(49)17-59(3)18-26(39)50;2-1(3,4)5/h5-20H,1-4H3,(H,53,54,55,56);/q+3;-1/p+1/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+;
    MOLECULAR FORMULA
    C44H30BF12N8+3
    CROSS REFERENCES
    745983 logo

    canSAR745983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 909.25
    AlogP 9.03
    HBond donors 2
    HBond acceptors 8
    Atoms 95
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR745983.