1968205 logo
canSAR1968205
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    OC[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@@H]2[C@@H](Cl)C[C@H]1[C@H]2CO
    InChI
    InChI=1S/C22H26ClN5O2/c23-18-7-16-17(10-30)15(18)8-19(16)28-12-26-20-21(24-11-25-22(20)28)27-14(9-29)6-13-4-2-1-3-5-13/h1-5,11-12,14-19,29-30H,6-10H2,(H,24,25,27)/t14-,15+,16+,17+,18+,19+/m1/s1
    MOLECULAR FORMULA
    C22H26ClN5O2
    CROSS REFERENCES
    1968205 logo

    canSAR1968205

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.18
    AlogP 2.64
    HBond donors 3
    HBond acceptors 7
    Atoms 56
    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 canSAR1968205.