canSAR1808683
FEATURES
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NAMES
    SMILES
    O=C(NCc1cccs1)[C@H](Cc1ccccc1)Nc1ccnc(NCC2CCCCC2)n1
    InChI
    InChI=1S/C25H31N5OS/c31-24(27-18-21-12-7-15-32-21)22(16-19-8-3-1-4-9-19)29-23-13-14-26-25(30-23)28-17-20-10-5-2-6-11-20/h1,3-4,7-9,12-15,20,22H,2,5-6,10-11,16-18H2,(H,27,31)(H2,26,28,29,30)/t22-/m0/s1
    MOLECULAR FORMULA
    C25H31N5OS
    CROSS REFERENCES
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    canSAR1808683
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight449.22
    AlogP4.87
    HBond donors3
    HBond acceptors6
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808683.