742631 logo
canSAR742631
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cn1cc(NC(=O)c2cc(NC(=O)c3cc(N)cn3C)cn2C)cc1C(=O)NCCC(=N)N
    InChI
    InChI=1S/C21H27N9O3/c1-28-9-12(22)6-15(28)20(32)26-14-8-17(30(3)11-14)21(33)27-13-7-16(29(2)10-13)19(31)25-5-4-18(23)24/h6-11H,4-5,22H2,1-3H3,(H3,23,24)(H,25,31)(H,26,32)(H,27,33)
    MOLECULAR FORMULA
    C21H27N9O3
    CROSS REFERENCES
    742631 logo

    canSAR742631

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.22
    AlogP 0.84
    HBond donors 8
    HBond acceptors 12
    Atoms 60
    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 canSAR742631.