canSAR2255787
FEATURES
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NAMES
    SMILES
    Cc1cc(OCCCc2c(C(=O)Nc3cccc(C(=O)O)n3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl
    InChI
    InChI=1S/C32H31Cl2N5O4/c1-16-14-20(15-17(2)28(16)34)43-13-7-8-21-22-11-12-23(33)27(26-18(3)38-39(5)19(26)4)29(22)37-30(21)31(40)36-25-10-6-9-24(35-25)32(41)42/h6,9-12,14-15,37H,7-8,13H2,1-5H3,(H,41,42)(H,35,36,40)
    MOLECULAR FORMULA
    C32H31Cl2N5O4
    CROSS REFERENCES
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    canSAR2255787
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight619.18
    AlogP7.47
    HBond donors3
    HBond acceptors9
    Atoms74
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255787.