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canSAR1637893
FEATURES
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NAMES
    SMILES
    CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccc(F)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
    InChI
    InChI=1S/C28H37FN2O4S/c1-20(2)7-6-8-23-11-14-28-26(15-23)35-27(18-30(5)17-24-9-12-25(29)13-10-24)21(3)16-31(22(4)19-32)36(28,33)34/h9-15,20-22,27,32H,7,16-19H2,1-5H3/t21-,22-,27-/m1/s1
    MOLECULAR FORMULA
    C28H37FN2O4S
    CROSS REFERENCES
    1637893 logo

    canSAR1637893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.25
    AlogP 4.12
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR1637893.