canSAR1846433
FEATURES
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NAMES
    SMILES
    S=C(NCCN1CCOCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
    InChI
    InChI=1S/C20H23N5OS/c27-20(21-9-10-25-11-13-26-14-12-25)22-16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)24-19/h1-8H,9-14H2,(H,23,24)(H2,21,22,27)
    MOLECULAR FORMULA
    C20H23N5OS
    CROSS REFERENCES
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    canSAR1846433
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight381.16
    AlogP2.85
    HBond donors3
    HBond acceptors6
    Atoms50
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846433.