canSAR825635
FEATURES
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NAMES
    SMILES
    CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=S)Nc2cccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2C(=O)O)cc1
    InChI
    InChI=1S/C43H36N6O5S/c1-2-3-11-36-48-39-40(28-7-4-5-9-32(28)46-41(39)44)49(36)23-25-14-12-24(13-15-25)22-45-43(55)47-33-10-6-8-31(38(33)42(52)53)37-29-18-16-26(50)20-34(29)54-35-21-27(51)17-19-30(35)37/h4-10,12-21,50H,2-3,11,22-23H2,1H3,(H2,44,46)(H,52,53)(H2,45,47,55)
    MOLECULAR FORMULA
    C43H36N6O5S
    CROSS REFERENCES
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    canSAR825635
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight748.25
    AlogP8.33
    HBond donors6
    HBond acceptors11
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR825635.