canSAR634257
FEATURES
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NAMES
    SMILES
    Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\Nc1c3ccccc3nc3ccccc13)/C(=C/Nc1c3ccccc3nc3ccccc13)C(=O)C(O)=C2C(C)C
    InChI
    InChI=1S/C56H46N4O4/c1-29(2)49-41-23-31(5)37(25-39(41)43(53(61)55(49)63)27-57-51-33-15-7-11-19-45(33)59-46-20-12-8-16-34(46)51)38-26-40-42(24-32(38)6)50(30(3)4)56(64)54(62)44(40)28-58-52-35-17-9-13-21-47(35)60-48-22-14-10-18-36(48)52/h7-30,63-64H,1-6H3,(H,57,59)(H,58,60)/b43-27-,44-28-
    MOLECULAR FORMULA
    C56H46N4O4
    CROSS REFERENCES
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    canSAR634257
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight838.35
    AlogP13.29
    HBond donors4
    HBond acceptors8
    Atoms110
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR634257.