1427751 logo
canSAR1427751
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])O.[Na+]
    InChI
    InChI=1S/C36H64N7O17P3S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43;/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51);/q;+1/p-1/t26?,29?,30?,31-,35?;/m1./s1
    MOLECULAR FORMULA
    C36H63N7NaO17P3S
    CROSS REFERENCES
    1427751 logo

    canSAR1427751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1013.31
    AlogP -0.22
    HBond donors 9
    HBond acceptors 24
    Atoms 128
    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 canSAR1427751.