2208391 logo
canSAR2208391
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNS(=O)(=O)N1CC[C@@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1
    InChI
    InChI=1S/C20H29N9O3S/c1-20(4-6-28(13-20)33(30,31)22-2)29-5-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)29)27-7-9-32-10-8-27/h11-12,22H,3-10,13H2,1-2H3,(H2,21,23,24)/t20-/m1/s1
    MOLECULAR FORMULA
    C20H29N9O3S
    CROSS REFERENCES
    2208391 logo

    canSAR2208391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.21
    AlogP -0.36
    HBond donors 3
    HBond acceptors 12
    Atoms 62
    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 canSAR2208391.