canSAR1847001
FEATURES
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NAMES
    SMILES
    C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)[C@@H](O)[C@@H](O)C(=O)O
    InChI
    InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*14-;1-,2+/m00./s1
    MOLECULAR FORMULA
    C40H50N4O6S2
    CROSS REFERENCES
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    canSAR1847001
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight746.32
    AlogP6.85
    HBond donors4
    HBond acceptors10
    Atoms102
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1847001.