canSAR1706875
FEATURES
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NAMES
    SMILES
    Cl.c1cncc(CNc2ncnc3sc4c(c23)CCC4)c1
    InChI
    InChI=1S/C15H14N4S.ClH/c1-4-11-12(5-1)20-15-13(11)14(18-9-19-15)17-8-10-3-2-6-16-7-10;/h2-3,6-7,9H,1,4-5,8H2,(H,17,18,19);1H
    MOLECULAR FORMULA
    C15H15ClN4S
    CROSS REFERENCES
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    canSAR1706875
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight318.07
    AlogP3.61
    HBond donors1
    HBond acceptors4
    Atoms36
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1706875.