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canSAR464928
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NAMES
    SMILES
    C[C@H](Nc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1
    InChI
    InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m0/s1
    MOLECULAR FORMULA
    C27H27F3N6
    CROSS REFERENCES
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    canSAR464928

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.22
    AlogP 6.19
    HBond donors 3
    HBond acceptors 6
    Atoms 63
    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 canSAR464928.