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canSAR64525
FEATURES
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NAMES
    SMILES
    CCc1cc2c3c(cc[n+]2nc1CC)[nH]c1ccccc13.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1
    InChI
    InChI=1S/C18H17N3.C9H12O3S/c1-3-12-11-17-18-13-7-5-6-8-15(13)19-16(18)9-10-21(17)20-14(12)4-2;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h5-11H,3-4H2,1-2H3;4-5H,1-3H3,(H,10,11,12)
    MOLECULAR FORMULA
    C27H29N3O3S
    CROSS REFERENCES
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    canSAR64525

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.19
    AlogP 5.10
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR64525.