661002 logo
canSAR661002
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nc(-c2nc(COc3c4cc(CC(=O)[O-])cc3Cc3cc(CC(=O)[O-])cc(c3O)Cc3cc(CC(=O)[O-])cc(c3OCc3nc(-c5nc(C)c(C(=O)[O-])s5)sc3C(=O)[O-])Cc3cc(CC(=O)[O-])cc(c3O)C4)c(C(=O)[O-])s2)sc1C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C56H44N4O20S4.8Na/c1-21-45(53(71)72)81-49(57-21)51-59-35(47(83-51)55(75)76)19-79-43-31-7-25(13-39(65)66)8-32(43)16-28-4-24(12-38(63)64)6-30(42(28)70)18-34-10-26(14-40(67)68)9-33(17-29-5-23(11-37(61)62)3-27(15-31)41(29)69)44(34)80-20-36-48(56(77)78)84-52(60-36)50-58-22(2)46(82-50)54(73)74;;;;;;;;/h3-10,69-70H,11-20H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,71,72)(H,73,74)(H,75,76)(H,77,78);;;;;;;;/q;8*+1/p-8
    MOLECULAR FORMULA
    C56H36N4Na8O20S4
    CROSS REFERENCES
    661002 logo

    canSAR661002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1396.00
    AlogP -26.64
    HBond donors 2
    HBond acceptors 24
    Atoms 128
    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 canSAR661002.