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canSAR2087993
FEATURES
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NAMES
    SMILES
    CC(C)(C)NC(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
    InChI
    InChI=1S/C20H25N7OS/c1-20(2,3)27-19(28)25-15-10-12(4-8-22-15)17-24-14-6-9-29-16(14)18(26-17)23-13-5-7-21-11-13/h4,6,8-10,13,21H,5,7,11H2,1-3H3,(H,23,24,26)(H2,22,25,27,28)/t13-/m1/s1
    MOLECULAR FORMULA
    C20H25N7OS
    CROSS REFERENCES
    2087993 logo

    canSAR2087993

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.18
    AlogP 3.45
    HBond donors 4
    HBond acceptors 8
    Atoms 54
    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 canSAR2087993.