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canSAR646799
FEATURES
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NAMES
    SMILES
    O=C(Cc1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
    InChI
    InChI=1S/C23H18F6N6O3/c24-22(25,26)13-8-12(9-14(10-13)23(27,28)29)20-33-32-17(38-20)11-18(36)34-6-3-15(4-7-34)35-16-2-1-5-30-19(16)31-21(35)37/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,30,31,37)
    MOLECULAR FORMULA
    C23H18F6N6O3
    CROSS REFERENCES
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    canSAR646799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.13
    AlogP 4.22
    HBond donors 1
    HBond acceptors 9
    Atoms 56
    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 canSAR646799.