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canSAR1523021
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NAMES
    SMILES
    CCCC[C@@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCC(C)CC2)nn1
    InChI
    InChI=1S/C22H31N5OS/c1-4-5-6-19(13-23)27-14-20(25-26-27)22(3,18-9-7-16(2)8-10-18)24-21(28)17-11-12-29-15-17/h11-12,14-16,18-19H,4-10H2,1-3H3,(H,24,28)/t16?,18?,19-,22-/m0/s1
    MOLECULAR FORMULA
    C22H31N5OS
    CROSS REFERENCES
    1523021 logo

    canSAR1523021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.22
    AlogP 5.07
    HBond donors 1
    HBond acceptors 6
    Atoms 60
    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 canSAR1523021.