canSAR1846898
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CCCC[C@H]3C)c2C1
    InChI
    InChI=1S/C32H40N6/c1-19(2)24-12-10-20(3)28(17-24)37-16-14-26-25(18-37)32(38-15-8-7-9-22(38)5)34-31(33-26)29-21(4)11-13-27-30(29)23(6)35-36-27/h10-13,17,19,22H,7-9,14-16,18H2,1-6H3,(H,35,36)/t22-/m1/s1
    MOLECULAR FORMULA
    C32H40N6
    CROSS REFERENCES
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    canSAR1846898
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight508.33
    AlogP7.01
    HBond donors1
    HBond acceptors6
    Atoms78
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846898.