1144973 logo
canSAR1144973
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)c1cccc([C@H]2CCOP(=O)(OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@@H](O)[C@@H]3O)O2)c1
    InChI
    InChI=1S/C20H24N3O10P/c1-29-19(26)12-4-2-3-11(9-12)13-6-8-30-34(28,33-13)31-10-14-16(24)17(25)18(32-14)23-7-5-15(21)22-20(23)27/h2-5,7,9,13-14,16-18,24-25H,6,8,10H2,1H3,(H2,21,22,27)/t13-,14-,16-,17+,18-,34?/m1/s1
    MOLECULAR FORMULA
    C20H24N3O10P
    CROSS REFERENCES
    1144973 logo

    canSAR1144973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.12
    AlogP 0.53
    HBond donors 4
    HBond acceptors 13
    Atoms 58
    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 canSAR1144973.