647593 logo
canSAR647593
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)CCCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)CCNc4nc(NC(=O)c5nc(NC(=O)c6nc(NC(=O)CCNC(=S)Nc7ccc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)c7)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
    InChI
    InChI=1S/C61H65N23O12S/c1-78(2)21-9-18-62-54(89)49-70-42(27-79(49)3)73-57(92)52-71-43(28-82(52)6)74-55(90)50-68-40(25-80(50)4)66-46(87)16-19-63-60-77-45(30-84(60)8)76-58(93)53-72-44(29-83(53)7)75-56(91)51-69-41(26-81(51)5)67-47(88)17-20-64-61(97)65-31-10-13-34(37(22-31)59(94)95)48-35-14-11-32(85)23-38(35)96-39-24-33(86)12-15-36(39)48/h10-15,22-30,85H,9,16-21H2,1-8H3,(H,62,89)(H,63,77)(H,66,87)(H,67,88)(H,73,92)(H,74,90)(H,75,91)(H,76,93)(H,94,95)(H2,64,65,97)
    MOLECULAR FORMULA
    C61H65N23O12S
    CROSS REFERENCES
    647593 logo

    canSAR647593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1343.49
    AlogP 3.82
    HBond donors 12
    HBond acceptors 35
    Atoms 162
    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 canSAR647593.