canSAR1808626
FEATURES
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NAMES
    SMILES
    CC1(C)[C@H](Nc2c(C(N)=O)cnn3cc(NS(=O)(=O)c4ccccc4)cc23)CC[C@@]1(C)O
    InChI
    InChI=1S/C22H27N5O4S/c1-21(2)18(9-10-22(21,3)29)25-19-16(20(23)28)12-24-27-13-14(11-17(19)27)26-32(30,31)15-7-5-4-6-8-15/h4-8,11-13,18,25-26,29H,9-10H2,1-3H3,(H2,23,28)/t18-,22-/m1/s1
    MOLECULAR FORMULA
    C22H27N5O4S
    CROSS REFERENCES
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    canSAR1808626
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight457.18
    AlogP2.59
    HBond donors5
    HBond acceptors9
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808626.