canSAR1808729
FEATURES
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NAMES
    SMILES
    C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12
    InChI
    InChI=1S/C20H31N5O3S/c1-14-10-15(12-29(27,28)25-9-3-4-16(26)11-25)5-6-18(14)24(2)20-17-7-8-21-19(17)22-13-23-20/h7-8,13-16,18,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15+,16-,18+/m1/s1
    MOLECULAR FORMULA
    C20H31N5O3S
    CROSS REFERENCES
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    canSAR1808729
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight421.21
    AlogP1.99
    HBond donors2
    HBond acceptors8
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808729.