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canSAR1203308
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NAMES
    SMILES
    O=c1[nH]cnc2cc(N[C@@H]3CCCNC3)nc(Nc3cccc4cc[nH]c34)c12
    InChI
    InChI=1S/C20H21N7O/c28-20-17-15(23-11-24-20)9-16(25-13-4-2-7-21-10-13)27-19(17)26-14-5-1-3-12-6-8-22-18(12)14/h1,3,5-6,8-9,11,13,21-22H,2,4,7,10H2,(H,23,24,28)(H2,25,26,27)/t13-/m1/s1
    MOLECULAR FORMULA
    C20H21N7O
    CROSS REFERENCES
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    canSAR1203308

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.18
    AlogP 2.71
    HBond donors 5
    HBond acceptors 8
    Atoms 49
    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 canSAR1203308.