canSAR1810006
FEATURES
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NAMES
    SMILES
    COc1cccc(CN2CCCC(C(=O)N3CCCCC3)C2)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C19H28N2O2.C2H2O4/c1-23-18-9-5-7-16(13-18)14-20-10-6-8-17(15-20)19(22)21-11-3-2-4-12-21;3-1(4)2(5)6/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C21H30N2O6
    CROSS REFERENCES
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    canSAR1810006
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight406.21
    AlogP2.08
    HBond donors2
    HBond acceptors8
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810006.