canSAR1599986
FEATURES
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NAMES
    SMILES
    Cc1cc(C)cc(-c2c(OCCC3CCCC[NH2+]3)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(Cl)cc3[nH]c2=O)c1
    InChI
    InChI=1S/C33H34ClN3O5/c1-19-11-20(2)13-22(12-19)30-31(40-10-8-23-5-3-4-9-35-23)25-15-24(26(34)16-27(25)37-33(30)39)32(38)36-17-21-6-7-28-29(14-21)42-18-41-28/h6-7,11-16,23,35H,3-5,8-10,17-18H2,1-2H3,(H,36,38)(H,37,39)/p+1
    MOLECULAR FORMULA
    C33H35ClN3O5+
    CROSS REFERENCES
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    canSAR1599986
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight588.23
    AlogP5.01
    HBond donors4
    HBond acceptors8
    Atoms77
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1599986.