canSAR819903
FEATURES
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NAMES
    SMILES
    CN(C)c1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
    InChI
    InChI=1S/C32H31N9/c1-38(2)29-16-21(40-19-22-15-23(40)18-39(22)3)7-8-25(29)28-11-14-34-32-30(24-5-4-6-27-26(24)17-35-36-27)31(37-41(28)32)20-9-12-33-13-10-20/h4-14,16-17,22-23H,15,18-19H2,1-3H3,(H,35,36)/t22-,23-/m0/s1
    MOLECULAR FORMULA
    C32H31N9
    CROSS REFERENCES
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    canSAR819903
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight541.27
    AlogP4.96
    HBond donors1
    HBond acceptors9
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819903.