canSAR1533566
FEATURES
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NAMES
    SMILES
    CCc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1
    InChI
    InChI=1S/C27H24FN9O/c1-3-23-35-36-26(38-23)27(15-11-31-37(2)14-15)24-18(17-6-4-5-7-19(17)32-24)10-21(34-27)25-30-13-22(33-25)20-9-8-16(28)12-29-20/h4-9,11-14,21,32,34H,3,10H2,1-2H3,(H,30,33)/t21-,27-/m1/s1
    MOLECULAR FORMULA
    C27H24FN9O
    CROSS REFERENCES
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    canSAR1533566
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight509.21
    AlogP3.95
    HBond donors3
    HBond acceptors10
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1533566.