canSAR2096693
FEATURES
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NAMES
    SMILES
    O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1
    InChI
    InChI=1S/C19H20N6OS/c26-19(11-1-2-11)24-15-9-12(3-7-21-15)17-23-14-5-8-27-16(14)18(25-17)22-13-4-6-20-10-13/h3,5,7-9,11,13,20H,1-2,4,6,10H2,(H,21,24,26)(H,22,23,25)/t13-/m1/s1
    MOLECULAR FORMULA
    C19H20N6OS
    CROSS REFERENCES
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    canSAR2096693
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight380.14
    AlogP2.88
    HBond donors3
    HBond acceptors7
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096693.