canSAR2169382
FEATURES
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NAMES
    SMILES
    N=C(O)c1nn(CC(=O)N2[C@H]3C[C@H]3C[C@@H]2C(O)=NC[C@H]2CC2(Cl)Cl)c2cnccc12
    InChI
    InChI=1S/C19H20Cl2N6O3/c20-19(21)5-10(19)6-24-18(30)13-4-9-3-12(9)27(13)15(28)8-26-14-7-23-2-1-11(14)16(25-26)17(22)29/h1-2,7,9-10,12-13H,3-6,8H2,(H2,22,29)(H,24,30)/t9-,10+,12-,13+/m0/s1
    MOLECULAR FORMULA
    C19H20Cl2N6O3
    CROSS REFERENCES
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    canSAR2169382
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight450.10
    AlogP2.45
    HBond donors3
    HBond acceptors9
    Atoms50
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2169382.